N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide

C23H21ClN2O3 — CID 118246812

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide
SMILESC[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-15(17-10-7-11-18(24)14-17)26(23(29)19-12-5-6-13-20(19)27)21(22(25)28)16-8-3-2-4-9-16/h2-15,21,27H,1H3,(H2,25,28)/t15-,21-/m1/s1
InChIKeyURBCNRMQNVVHHJ-QVKFZJNVSA-N
MW408.89 g/mol
LogP4.48
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide (PubChem CID 118246812) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide
PubChem CID118246812
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide
SMILESC[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-15(17-10-7-11-18(24)14-17)26(23(29)19-12-5-6-13-20(19)27)21(22(25)28)16-8-3-2-4-9-16/h2-15,21,27H,1H3,(H2,25,28)/t15-,21-/m1/s1
InChIKeyURBCNRMQNVVHHJ-QVKFZJNVSA-N
XLogP4.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}ethyl)benzamide
CID 596209
N-[4-(3-Chloro-phenyl)-butyl]-2-{[2-(4-hydroxy-phenyl)-ethylamino]-methyl}-benzamide
CID 23544296
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide
CID 29778035
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide
CID 118247008
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-N,1-bis(2-phenylethyl)pyridine-3-carboxamide
CID 2368407
N,1-dibenzyl-5-(5-chloro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2373067
2-hydroxy-N-(1-phenylpropyl)benzamide
CID 2961465
N-{1-(4-chlorophenyl)-2-[(3-ethoxypropyl)amino]-2-oxoethyl}-2-hydroxybenzamide
CID 3371077
N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}-2-hydroxybenzamide
CID 4314757
N-{1-(4-chlorophenyl)-2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2-hydroxybenzamide
CID 4654636
4-chloro-N-(2-{3-[(diethylamino)methyl]-4-hydroxyphenyl}ethyl)benzamide
CID 5235390
(S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid 5-chloro-2-hydroxy-benzylamide
CID 11794918

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide (CID 118246812) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide is C[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide?
The InChIKey is URBCNRMQNVVHHJ-QVKFZJNVSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15(17-10-7-11-18(24)14-17)26(23(29)19-12-5-6-13-20(19)27)21(22(25)28)16-8-3-2-4-9-16/h2-15,21,27H,1H3,(H2,25,28)/t15-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide has a molecular weight of 408.89 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 118246812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).