2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide

C23H21ClN2O3 — CID 91343467

IUPAC2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c24-21-9-5-4-8-20(21)23(29)26-18-12-10-17(11-13-18)22(28)25-15-19(27)14-16-6-2-1-3-7-16/h1-13,19,27H,14-15H2,(H,25,28)(H,26,29)
InChIKeyDVAPGCWRKFBYDJ-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.93
Rot. Bonds7

About 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide

2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide (PubChem CID 91343467) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
PubChem CID91343467
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c24-21-9-5-4-8-20(21)23(29)26-18-12-10-17(11-13-18)22(28)25-15-19(27)14-16-6-2-1-3-7-16/h1-13,19,27H,14-15H2,(H,25,28)(H,26,29)
InChIKeyDVAPGCWRKFBYDJ-UHFFFAOYSA-N
XLogP3.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102382
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide
CID 17201202
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide (CID 91343467) is 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide is O=C(NCC(O)Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide?
The InChIKey is DVAPGCWRKFBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c24-21-9-5-4-8-20(21)23(29)26-18-12-10-17(11-13-18)22(28)25-15-19(27)14-16-6-2-1-3-7-16/h1-13,19,27H,14-15H2,(H,25,28)(H,26,29).
What are the key properties of 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide?
2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 91343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).