5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide

C19H16ClN3O2 — CID 55556193

IUPAC5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H16ClN3O2/c1-2-9-21-18(24)14-5-3-4-6-16(14)23-19(25)17-11-12-10-13(20)7-8-15(12)22-17/h2-8,10-11,22H,1,9H2,(H,21,24)(H,23,25)
InChIKeyBFPFWBDLDJOPLM-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.99
Rot. Bonds5

About 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 55556193) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID55556193
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H16ClN3O2/c1-2-9-21-18(24)14-5-3-4-6-16(14)23-19(25)17-11-12-10-13(20)7-8-15(12)22-17/h2-8,10-11,22H,1,9H2,(H,21,24)(H,23,25)
InChIKeyBFPFWBDLDJOPLM-UHFFFAOYSA-N
XLogP3.99
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735
5-chloro-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113207247
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46323222
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide (CID 55556193) is 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is BFPFWBDLDJOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-2-9-21-18(24)14-5-3-4-6-16(14)23-19(25)17-11-12-10-13(20)7-8-15(12)22-17/h2-8,10-11,22H,1,9H2,(H,21,24)(H,23,25).
What are the key properties of 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55556193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).