N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide

C19H16ClF2N3O2 — CID 121401280

IUPACN-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide
SMILESNC(=O)N(Cc1cccc(F)c1F)C(=O)CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H16ClF2N3O2/c20-14-5-2-4-13-11(9-24-18(13)14)7-8-16(26)25(19(23)27)10-12-3-1-6-15(21)17(12)22/h1-6,9,24H,7-8,10H2,(H2,23,27)
InChIKeyHIBCHQSCRRVWOC-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.14
Rot. Bonds5

About N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide

N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide (PubChem CID 121401280) has the molecular formula C19H16ClF2N3O2 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide
PubChem CID121401280
Molecular FormulaC19H16ClF2N3O2
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC NameN-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide
SMILESNC(=O)N(Cc1cccc(F)c1F)C(=O)CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H16ClF2N3O2/c20-14-5-2-4-13-11(9-24-18(13)14)7-8-16(26)25(19(23)27)10-12-3-1-6-15(21)17(12)22/h1-6,9,24H,7-8,10H2,(H2,23,27)
InChIKeyHIBCHQSCRRVWOC-UHFFFAOYSA-N
XLogP4.14
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide?
The IUPAC name of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide (CID 121401280) is N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide.
What is the SMILES notation for N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide?
The canonical SMILES for N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide is NC(=O)N(Cc1cccc(F)c1F)C(=O)CCc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide?
The InChIKey is HIBCHQSCRRVWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2/c20-14-5-2-4-13-11(9-24-18(13)14)7-8-16(26)25(19(23)27)10-12-3-1-6-15(21)17(12)22/h1-6,9,24H,7-8,10H2,(H2,23,27).
What are the key properties of N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide?
N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide has a molecular weight of 391.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(7-chloro-1H-indol-3-yl)-N-[(2,3-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 121401280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).