5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide

C16H11Cl2FN2O — CID 46921201

IUPAC5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H11Cl2FN2O/c17-11-2-4-14-10(6-11)7-15(21-14)16(22)20-8-9-1-3-13(19)12(18)5-9/h1-7,21H,8H2,(H,20,22)
InChIKeyMTMRMPDDFQWBSR-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.54
Rot. Bonds3

About 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide

5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 46921201) has the molecular formula C16H11Cl2FN2O and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID46921201
Molecular FormulaC16H11Cl2FN2O
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H11Cl2FN2O/c17-11-2-4-14-10(6-11)7-15(21-14)16(22)20-8-9-1-3-13(19)12(18)5-9/h1-7,21H,8H2,(H,20,22)
InChIKeyMTMRMPDDFQWBSR-UHFFFAOYSA-N
XLogP4.54
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide (CID 46921201) is 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MTMRMPDDFQWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O/c17-11-2-4-14-10(6-11)7-15(21-14)16(22)20-8-9-1-3-13(19)12(18)5-9/h1-7,21H,8H2,(H,20,22).
What are the key properties of 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46921201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).