4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide

C21H21ClN2O2 — CID 140986014

IUPAC4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide
SMILESCCC(=O)c1c(CC)[nH]c2cc(C(N)=O)cc(Cc3ccccc3Cl)c12
InChIInChI=1S/C21H21ClN2O2/c1-3-16-20(18(25)4-2)19-13(9-12-7-5-6-8-15(12)22)10-14(21(23)26)11-17(19)24-16/h5-8,10-11,24H,3-4,9H2,1-2H3,(H2,23,26)
InChIKeyWZNMGYGXILOVBS-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.67
Rot. Bonds6

About 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide

4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide (PubChem CID 140986014) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide
PubChem CID140986014
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide
SMILESCCC(=O)c1c(CC)[nH]c2cc(C(N)=O)cc(Cc3ccccc3Cl)c12
InChIInChI=1S/C21H21ClN2O2/c1-3-16-20(18(25)4-2)19-13(9-12-7-5-6-8-15(12)22)10-14(21(23)26)11-17(19)24-16/h5-8,10-11,24H,3-4,9H2,1-2H3,(H2,23,26)
InChIKeyWZNMGYGXILOVBS-UHFFFAOYSA-N
XLogP4.67
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363
1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide
CID 10270421
1-[2-chloro-6-(chloromethyl)phenyl]propan-1-one
CID 130926000
1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
CID 70452209
2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 66623191
2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid
CID 142636695
4-(2-ethylphenyl)benzamide
CID 69080578
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 43338651
3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
CID 71048980
4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide
CID 160807964

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide (CID 140986014) is 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide is CCC(=O)c1c(CC)[nH]c2cc(C(N)=O)cc(Cc3ccccc3Cl)c12.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide?
The InChIKey is WZNMGYGXILOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-3-16-20(18(25)4-2)19-13(9-12-7-5-6-8-15(12)22)10-14(21(23)26)11-17(19)24-16/h5-8,10-11,24H,3-4,9H2,1-2H3,(H2,23,26).
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide?
4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-ethyl-3-propanoyl-1H-indole-6-carboxamide is sourced from PubChem (CID 140986014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).