N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide

C18H16ClN3O2 — CID 34999950

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-7-5-12(6-8-14)17(23)20-9-10-21-18(24)16-11-13-3-1-2-4-15(13)22-16/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyVTBANAKVAJODBO-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide (PubChem CID 34999950) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
PubChem CID34999950
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-7-5-12(6-8-14)17(23)20-9-10-21-18(24)16-11-13-3-1-2-4-15(13)22-16/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyVTBANAKVAJODBO-UHFFFAOYSA-N
XLogP2.98
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[2-[[6-[(Z)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-carbonyl]amino]ethyl]-1H-indole-2-carboxamide
CID 135840112
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
2-[1-(4-chlorophenyl)ethenyl]-1H-indole
CID 166072616
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide (CID 34999950) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide is O=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide?
The InChIKey is VTBANAKVAJODBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-7-5-12(6-8-14)17(23)20-9-10-21-18(24)16-11-13-3-1-2-4-15(13)22-16/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 34999950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).