N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide

C20H19ClF2N2O2 — CID 169240887

IUPACN-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide
SMILESCC1COc2c1cc(C(CNC=O)C1CC1)nc2-c1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C20H19ClF2N2O2/c1-10-8-27-20-13(10)6-17(14(7-24-9-26)11-2-3-11)25-19(20)12-4-15(21)18(23)16(22)5-12/h4-6,9-11,14H,2-3,7-8H2,1H3,(H,24,26)
InChIKeyFGBCNZYZDCAZSW-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.42
Rot. Bonds6

About N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide

N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide (PubChem CID 169240887) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide.

Molecular Properties

Compound NameN-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide
PubChem CID169240887
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC NameN-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide
SMILESCC1COc2c1cc(C(CNC=O)C1CC1)nc2-c1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C20H19ClF2N2O2/c1-10-8-27-20-13(10)6-17(14(7-24-9-26)11-2-3-11)25-19(20)12-4-15(21)18(23)16(22)5-12/h4-6,9-11,14H,2-3,7-8H2,1H3,(H,24,26)
InChIKeyFGBCNZYZDCAZSW-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-(3-chloro-4-fluorophenyl)-5-[1-cyclopropyl-2-(methylamino)ethyl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
CID 169241274
8-chloro-3-methylquinoline-6-carbaldehyde;2-cyclopropyl-N-methyl-2-[3-methyl-7-(2,4,5-trifluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine;hydroxylamine
CID 164911339
3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine
CID 164910750
4-amino-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-3-[(E)-difluoromethyliminomethyl]-5-methoxybenzamide;formaldehyde;methanamine
CID 169241223
formamide;3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
CID 156872554
2-cyclopropyl-N-[1-[2-(difluoromethyl)-7-methoxyindazol-5-yl]ethenyl]-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethanamine
CID 169240906
2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872491
N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide
CID 169241090
4-[5-[3-[4-amino-3-(cyclopropyliminomethyl)-5-methoxyphenyl]-1,1,1-trifluoropropan-2-yl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-7-yl]-2-chlorobenzonitrile;formamide
CID 164910489
4-(aziridin-2-yl)-2-(4-chloro-2,5-difluorophenyl)-6-[1-cyclopropyl-2-(methylamino)ethyl]pyridin-3-ol
CID 169241006
N-[(Z)-[3-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]pentyliminomethyl]-5-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclopropanamine
CID 164910822
8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide
CID 169241089

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide?
The IUPAC name of N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide (CID 169240887) is N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide.
What is the SMILES notation for N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide?
The canonical SMILES for N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide is CC1COc2c1cc(C(CNC=O)C1CC1)nc2-c1cc(F)c(F)c(Cl)c1.
What is the InChIKey of N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide?
The InChIKey is FGBCNZYZDCAZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c1-10-8-27-20-13(10)6-17(14(7-24-9-26)11-2-3-11)25-19(20)12-4-15(21)18(23)16(22)5-12/h4-6,9-11,14H,2-3,7-8H2,1H3,(H,24,26).
What are the key properties of N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide?
N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide has a molecular weight of 392.83 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(3-chloro-4,5-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]formamide is sourced from PubChem (CID 169240887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).