2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide

C22H19ClN2O3 — CID 20524462

IUPAC2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
SMILESCc1ccc(COc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-15-6-8-16(9-7-15)14-28-18-12-10-17(11-13-18)24-22(27)25-21(26)19-4-2-3-5-20(19)23/h2-13H,14H2,1H3,(H2,24,25,26,27)
InChIKeyANOUNZWEEICHRQ-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.19
Rot. Bonds5

About 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide

2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide (PubChem CID 20524462) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
PubChem CID20524462
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
SMILESCc1ccc(COc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-15-6-8-16(9-7-15)14-28-18-12-10-17(11-13-18)24-22(27)25-21(26)19-4-2-3-5-20(19)23/h2-13H,14H2,1H3,(H2,24,25,26,27)
InChIKeyANOUNZWEEICHRQ-UHFFFAOYSA-N
XLogP5.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[[4-(2-methyl-1-phenylpropan-2-yl)oxyphenyl]carbamoyl]benzamide
CID 20524420
2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide
CID 56616220
2,4-dichloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
CID 3526755
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide (CID 20524462) is 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide is Cc1ccc(COc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2)cc1.
What is the InChIKey of 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide?
The InChIKey is ANOUNZWEEICHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15-6-8-16(9-7-15)14-28-18-12-10-17(11-13-18)24-22(27)25-21(26)19-4-2-3-5-20(19)23/h2-13H,14H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 20524462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).