2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide

C23H23ClN2O — CID 55430532

IUPAC2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23ClN2O/c1-16-20(24)14-9-15-21(16)26-23(27)17(2)25-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22,25H,1-2H3,(H,26,27)
InChIKeyZYHCCGMMUQKYBY-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.35
Rot. Bonds6

About 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide

2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 55430532) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID55430532
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23ClN2O/c1-16-20(24)14-9-15-21(16)26-23(27)17(2)25-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22,25H,1-2H3,(H,26,27)
InChIKeyZYHCCGMMUQKYBY-UHFFFAOYSA-N
XLogP5.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid
CID 3310163
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
(2R)-2-(benzhydrylamino)-N-(2,6-difluorophenyl)propanamide
CID 9445859
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide (CID 55430532) is 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is ZYHCCGMMUQKYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-16-20(24)14-9-15-21(16)26-23(27)17(2)25-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22,25H,1-2H3,(H,26,27).
What are the key properties of 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide?
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 378.90 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 55430532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).