2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide

C22H16ClN3O3 — CID 134097756

IUPAC2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C22H16ClN3O3/c1-29-20-12-16(10-11-17(20)15-8-6-14(13-24)7-9-15)25-22(28)26-21(27)18-4-2-3-5-19(18)23/h2-12H,1H3,(H2,25,26,27,28)
InChIKeyKSPWKPLPGFGXCQ-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.85
Rot. Bonds4

About 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide

2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide (PubChem CID 134097756) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
PubChem CID134097756
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C22H16ClN3O3/c1-29-20-12-16(10-11-17(20)15-8-6-14(13-24)7-9-15)25-22(28)26-21(27)18-4-2-3-5-19(18)23/h2-12H,1H3,(H2,25,26,27,28)
InChIKeyKSPWKPLPGFGXCQ-UHFFFAOYSA-N
XLogP4.85
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
CID 134087446
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134104722
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134097670
2-chloro-N-[(3-ethoxy-4-phenylphenyl)carbamothioyl]benzamide
CID 134110313
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
2-methoxy-N-[(4-phenyl-3-propan-2-ylphenyl)carbamoyl]benzamide
CID 70689618
[4-[(2-chlorobenzoyl)carbamoylamino]-2-phenylphenyl] benzenesulfonate
CID 134107386
2-chloro-N-[2-methoxy-4-[(4-phenylbenzoyl)carbamothioylamino]phenyl]benzamide
CID 17115563
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide (CID 134097756) is 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide is COc1cc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1ccc(C#N)cc1.
What is the InChIKey of 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide?
The InChIKey is KSPWKPLPGFGXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-29-20-12-16(10-11-17(20)15-8-6-14(13-24)7-9-15)25-22(28)26-21(27)18-4-2-3-5-19(18)23/h2-12H,1H3,(H2,25,26,27,28).
What are the key properties of 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide?
2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide has a molecular weight of 405.84 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide is sourced from PubChem (CID 134097756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).