1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide

C19H17ClN2O3 — CID 113212552

IUPAC1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(C(C)=O)c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-12(23)22-11-16(15-9-14(20)7-8-17(15)22)19(24)21-10-13-5-3-4-6-18(13)25-2/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeySZNVUQUYIMGDRT-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.89
Rot. Bonds4

About 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide

1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide (PubChem CID 113212552) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
PubChem CID113212552
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cn(C(C)=O)c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-12(23)22-11-16(15-9-14(20)7-8-17(15)22)19(24)21-10-13-5-3-4-6-18(13)25-2/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeySZNVUQUYIMGDRT-UHFFFAOYSA-N
XLogP3.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
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CID 912738
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
CID 113212614
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide (CID 113212552) is 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide is COc1ccccc1CNC(=O)c1cn(C(C)=O)c2ccc(Cl)cc12.
What is the InChIKey of 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide?
The InChIKey is SZNVUQUYIMGDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12(23)22-11-16(15-9-14(20)7-8-17(15)22)19(24)21-10-13-5-3-4-6-18(13)25-2/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide?
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 113212552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).