N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide

C19H19ClF2N2O2 — CID 51317758

IUPACN-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCC(NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClF2N2O2/c1-2-17(12-3-5-13(20)6-4-12)24-18(25)9-10-23-19(26)15-8-7-14(21)11-16(15)22/h3-8,11,17H,2,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyFBAXONGEFMEDAL-UHFFFAOYSA-N
MW380.82 g/mol
LogP4.01
Rot. Bonds7

About N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 51317758) has the molecular formula C19H19ClF2N2O2 and a molecular weight of 380.82 g/mol. Its IUPAC name is N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID51317758
Molecular FormulaC19H19ClF2N2O2
Molecular Weight380.82 g/mol
Exact Mass380.11
IUPAC NameN-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCC(NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClF2N2O2/c1-2-17(12-3-5-13(20)6-4-12)24-18(25)9-10-23-19(26)15-8-7-14(21)11-16(15)22/h3-8,11,17H,2,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyFBAXONGEFMEDAL-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
2,4-difluoro-N-[3-oxo-3-[1-(3,4,5-trimethoxyphenyl)ethylamino]propyl]benzamide
CID 55709547
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192686
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816277
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46447028
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide (CID 51317758) is N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide is CCC(NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is FBAXONGEFMEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O2/c1-2-17(12-3-5-13(20)6-4-12)24-18(25)9-10-23-19(26)15-8-7-14(21)11-16(15)22/h3-8,11,17H,2,9-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 380.82 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51317758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).