2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide

C24H22ClN3O3 — CID 56616220

IUPAC2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide
SMILESCC=C(NOCc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C24H22ClN3O3/c1-2-22(18-8-4-3-5-9-18)28-31-16-17-12-14-19(15-13-17)26-24(30)27-23(29)20-10-6-7-11-21(20)25/h2-15,28H,16H2,1H3,(H2,26,27,29,30)
InChIKeyVIDDOYKAAKIMAJ-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.38
Rot. Bonds7

About 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide

2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide (PubChem CID 56616220) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide
PubChem CID56616220
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide
SMILESCC=C(NOCc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C24H22ClN3O3/c1-2-22(18-8-4-3-5-9-18)28-31-16-17-12-14-19(15-13-17)26-24(30)27-23(29)20-10-6-7-11-21(20)25/h2-15,28H,16H2,1H3,(H2,26,27,29,30)
InChIKeyVIDDOYKAAKIMAJ-UHFFFAOYSA-N
XLogP5.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
N-[[4-[[1-(4-chlorophenyl)but-1-enylamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 57320590
2-chloro-N-[[4-(2-methyl-1-phenylpropan-2-yl)oxyphenyl]carbamoyl]benzamide
CID 20524420
2-chloro-N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]benzamide
CID 54514892
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
CID 44603837
2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
CID 143726718
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-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide (CID 56616220) is 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide is CC=C(NOCc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide?
The InChIKey is VIDDOYKAAKIMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-2-22(18-8-4-3-5-9-18)28-31-16-17-12-14-19(15-13-17)26-24(30)27-23(29)20-10-6-7-11-21(20)25/h2-15,28H,16H2,1H3,(H2,26,27,29,30).
What are the key properties of 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide has a molecular weight of 435.91 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(1-phenylprop-1-enylamino)oxymethyl]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 56616220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).