2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

C23H21ClN2O3 — CID 144901028

IUPAC2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O3/c1-29-21-14-8-7-13-19(21)25-23(28)20(15-16-9-3-2-4-10-16)26-22(27)17-11-5-6-12-18(17)24/h2-14,20H,15H2,1H3,(H,25,28)(H,26,27)/t20-/m1/s1
InChIKeyCNZKHEJRTDQDGX-HXUWFJFHSA-N
MW408.89 g/mol
LogP4.33
Rot. Bonds7

About 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 144901028) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID144901028
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O3/c1-29-21-14-8-7-13-19(21)25-23(28)20(15-16-9-3-2-4-10-16)26-22(27)17-11-5-6-12-18(17)24/h2-14,20H,15H2,1H3,(H,25,28)(H,26,27)/t20-/m1/s1
InChIKeyCNZKHEJRTDQDGX-HXUWFJFHSA-N
XLogP4.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 3123999
2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
CID 118296422
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
N-[1-[2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296459
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
3-ethoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;2-methoxy-N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901027
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 144901028) is 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is CNZKHEJRTDQDGX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-29-21-14-8-7-13-19(21)25-23(28)20(15-16-9-3-2-4-10-16)26-22(27)17-11-5-6-12-18(17)24/h2-14,20H,15H2,1H3,(H,25,28)(H,26,27)/t20-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 144901028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).