6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide

C18H16ClN3O3 — CID 166373427

IUPAC6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O3/c1-2-15(11-4-3-5-14(8-11)22(24)25)21-18(23)17-9-12-6-7-13(19)10-16(12)20-17/h3-10,15,20H,2H2,1H3,(H,21,23)
InChIKeyORXDCSTUMZETEX-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.61
Rot. Bonds5

About 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide

6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide (PubChem CID 166373427) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide
PubChem CID166373427
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O3/c1-2-15(11-4-3-5-14(8-11)22(24)25)21-18(23)17-9-12-6-7-13(19)10-16(12)20-17/h3-10,15,20H,2H2,1H3,(H,21,23)
InChIKeyORXDCSTUMZETEX-UHFFFAOYSA-N
XLogP4.61
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-(3-bromophenyl)-3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoate
CID 166373423
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310726
(3S)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310727
4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 71977496
(3S)-3-[(2,6-dichlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7300595
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 166189903
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide (CID 166373427) is 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide is CCC(NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide?
The InChIKey is ORXDCSTUMZETEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-15(11-4-3-5-14(8-11)22(24)25)21-18(23)17-9-12-6-7-13(19)10-16(12)20-17/h3-10,15,20H,2H2,1H3,(H,21,23).
What are the key properties of 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide?
6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166373427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).