N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide

C19H15ClN4O2 — CID 9026189

IUPACN-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc[nH]1
InChIInChI=1S/C19H15ClN4O2/c20-16-8-2-1-7-15(16)18(25)23-14-6-3-5-13(11-14)12-22-24-19(26)17-9-4-10-21-17/h1-12,21H,(H,23,25)(H,24,26)/b22-12-
InChIKeyQZFZCHHIXHHAQT-UUYOSTAYSA-N
MW366.81 g/mol
LogP3.68
Rot. Bonds5

About N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026189) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026189
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc[nH]1
InChIInChI=1S/C19H15ClN4O2/c20-16-8-2-1-7-15(16)18(25)23-14-6-3-5-13(11-14)12-22-24-19(26)17-9-4-10-21-17/h1-12,21H,(H,23,25)(H,24,26)/b22-12-
InChIKeyQZFZCHHIXHHAQT-UUYOSTAYSA-N
XLogP3.68
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.68
H-Bond Donors ≤ 53
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

2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
CID 46803956
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
CID 42991489
2-chloro-N-[3-[[(E)-(2-fluorophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496124
2-chloro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379
2-chloro-N-[3-[(E)-ethoxyiminomethyl]phenyl]benzamide
CID 46654984
2-chloro-N-[3-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 46496158
2-chloro-N-[3-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]phenyl]benzamide
CID 9176139
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
N-[3-[[(3-bromophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
CID 4913995
2-chloro-N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]benzamide
CID 7946519

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide (CID 9026189) is N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide is O=C(N/N=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc[nH]1.
What is the InChIKey of N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is QZFZCHHIXHHAQT-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-16-8-2-1-7-15(16)18(25)23-14-6-3-5-13(11-14)12-22-24-19(26)17-9-4-10-21-17/h1-12,21H,(H,23,25)(H,24,26)/b22-12-.
What are the key properties of N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(2-chlorobenzoyl)amino]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).