N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide

C18H16ClN3O3 — CID 55556002

IUPACN-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(C)=O
InChIInChI=1S/C18H16ClN3O3/c1-10(23)20-15-9-13(4-6-17(15)25-2)21-18(24)16-8-11-7-12(19)3-5-14(11)22-16/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeySSALVSVSTAFMIQ-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.04
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide

N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide (PubChem CID 55556002) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
PubChem CID55556002
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(C)=O
InChIInChI=1S/C18H16ClN3O3/c1-10(23)20-15-9-13(4-6-17(15)25-2)21-18(24)16-8-11-7-12(19)3-5-14(11)22-16/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeySSALVSVSTAFMIQ-UHFFFAOYSA-N
XLogP4.04
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46323222
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134050967
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
N-(6-acetamido-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-chloro-1H-indole-2-carboxamide
CID 91582494
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide (CID 55556002) is N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide?
The InChIKey is SSALVSVSTAFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-10(23)20-15-9-13(4-6-17(15)25-2)21-18(24)16-8-11-7-12(19)3-5-14(11)22-16/h3-9,22H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 55556002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).