2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

C18H14ClN3O — CID 50854715

IUPAC2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccn(-c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O/c19-17-9-5-4-8-16(17)18(23)21-20-12-14-10-11-22(13-14)15-6-2-1-3-7-15/h1-13H,(H,21,23)/b20-12-
InChIKeyYFZQFYFGWCSCQL-NDENLUEZSA-N
MW323.78 g/mol
LogP3.89
Rot. Bonds4

About 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide (PubChem CID 50854715) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
PubChem CID50854715
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccn(-c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O/c19-17-9-5-4-8-16(17)18(23)21-20-12-14-10-11-22(13-14)15-6-2-1-3-7-15/h1-13H,(H,21,23)/b20-12-
InChIKeyYFZQFYFGWCSCQL-NDENLUEZSA-N
XLogP3.89
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854705
N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50854816
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 50855396
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-chloro-N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide
CID 2249500
2-[2-(carboxymethoxy)-4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4205853
2-chloro-N-[[4-[3-phenyl-5-(2-phenylethenyl)-1,3-dihydropyrazol-2-yl]phenyl]methylideneamino]benzamide
CID 4518561
2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide (CID 50854715) is 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccn(-c2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The InChIKey is YFZQFYFGWCSCQL-NDENLUEZSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-17-9-5-4-8-16(17)18(23)21-20-12-14-10-11-22(13-14)15-6-2-1-3-7-15/h1-13H,(H,21,23)/b20-12-.
What are the key properties of 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide has a molecular weight of 323.78 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 50854715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).