N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide

C17H15ClN4O3 — CID 4185581

IUPACN'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN4O3/c1-10(21-22-17(25)15(19)23)12-3-2-4-14(9-12)20-16(24)11-5-7-13(18)8-6-11/h2-9H,1H3,(H2,19,23)(H,20,24)(H,22,25)
InChIKeyKVGPZRHSIFTGCU-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.92
Rot. Bonds4

About N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide

N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide (PubChem CID 4185581) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
PubChem CID4185581
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN4O3/c1-10(21-22-17(25)15(19)23)12-3-2-4-14(9-12)20-16(24)11-5-7-13(18)8-6-11/h2-9H,1H3,(H2,19,23)(H,20,24)(H,22,25)
InChIKeyKVGPZRHSIFTGCU-UHFFFAOYSA-N
XLogP1.92
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
4-chloro-N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 4280709
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methoxybenzamide
CID 6075800
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184
4-chloro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6246372
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032132
4-chloro-N-[3-[C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]benzamide
CID 3652247
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide?
The IUPAC name of N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide (CID 4185581) is N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide?
The canonical SMILES for N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide is CC(=NNC(=O)C(N)=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide?
The InChIKey is KVGPZRHSIFTGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-10(21-22-17(25)15(19)23)12-3-2-4-14(9-12)20-16(24)11-5-7-13(18)8-6-11/h2-9H,1H3,(H2,19,23)(H,20,24)(H,22,25).
What are the key properties of N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide?
N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide has a molecular weight of 358.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 4185581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).