N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide

C18H16ClN3O — CID 5011470

IUPACN-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
SMILESCCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-16(12-7-9-13(19)10-8-12)21-22-18(23)15-11-20-17-6-4-3-5-14(15)17/h3-11,20H,2H2,1H3,(H,22,23)
InChIKeyMNRKXZMSBWCALU-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide

N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide (PubChem CID 5011470) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
PubChem CID5011470
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
SMILESCCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-16(12-7-9-13(19)10-8-12)21-22-18(23)15-11-20-17-6-4-3-5-14(15)17/h3-11,20H,2H2,1H3,(H,22,23)
InChIKeyMNRKXZMSBWCALU-UHFFFAOYSA-N
XLogP4.37
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
CID 67661934
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide (CID 5011470) is N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide is CCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide?
The InChIKey is MNRKXZMSBWCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-2-16(12-7-9-13(19)10-8-12)21-22-18(23)15-11-20-17-6-4-3-5-14(15)17/h3-11,20H,2H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide?
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5011470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).