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

C21H16ClFN2O3 — CID 20524381

IUPAC2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16ClFN2O3/c22-19-4-2-1-3-18(19)20(26)25-21(27)24-16-9-11-17(12-10-16)28-13-14-5-7-15(23)8-6-14/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyQDOQBUFDQRUSRL-UHFFFAOYSA-N
MW398.82 g/mol
LogP5.02
Rot. Bonds5

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

2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide (PubChem CID 20524381) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
PubChem CID20524381
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16ClFN2O3/c22-19-4-2-1-3-18(19)20(26)25-21(27)24-16-9-11-17(12-10-16)28-13-14-5-7-15(23)8-6-14/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyQDOQBUFDQRUSRL-UHFFFAOYSA-N
XLogP5.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.82
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
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-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
CID 3526755
2-chloro-N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]benzamide
CID 54514892
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide (CID 20524381) is 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide?
The InChIKey is QDOQBUFDQRUSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c22-19-4-2-1-3-18(19)20(26)25-21(27)24-16-9-11-17(12-10-16)28-13-14-5-7-15(23)8-6-14/h1-12H,13H2,(H2,24,25,26,27).
What are the key properties of 2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide has a molecular weight of 398.82 g/mol, XLogP of 5.02, 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-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 20524381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).