N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide

C22H18ClN3O3 — CID 1145926

IUPACN-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3O3/c1-14-6-2-3-7-17(14)21(28)24-16-12-10-15(11-13-16)20(27)25-26-22(29)18-8-4-5-9-19(18)23/h2-13H,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyQDSARGKDRVDTFU-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.98
Rot. Bonds4

About N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 1145926) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID1145926
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClN3O3/c1-14-6-2-3-7-17(14)21(28)24-16-12-10-15(11-13-16)20(27)25-26-22(29)18-8-4-5-9-19(18)23/h2-13H,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyQDSARGKDRVDTFU-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)-2-methylbenzohydrazide
CID 795258
2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3393738
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide (CID 1145926) is N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is QDSARGKDRVDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-14-6-2-3-7-17(14)21(28)24-16-12-10-15(11-13-16)20(27)25-26-22(29)18-8-4-5-9-19(18)23/h2-13H,1H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide 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 N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 1145926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).