4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide

C22H18ClN3O3 — CID 126230741

IUPAC4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H18ClN3O3/c1-14-4-2-5-16(12-14)21(28)25-26-22(29)17-6-3-7-19(13-17)24-20(27)15-8-10-18(23)11-9-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyMIZIWCAOYHGSPF-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide

4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 126230741) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID126230741
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H18ClN3O3/c1-14-4-2-5-16(12-14)21(28)25-26-22(29)17-6-3-7-19(13-17)24-20(27)15-8-10-18(23)11-9-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyMIZIWCAOYHGSPF-UHFFFAOYSA-N
XLogP3.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide (CID 126230741) is 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide is Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is MIZIWCAOYHGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-14-4-2-5-16(12-14)21(28)25-26-22(29)17-6-3-7-19(13-17)24-20(27)15-8-10-18(23)11-9-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 407.86 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126230741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).