N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide

C31H35ClN2O2 — CID 132619736

IUPACN-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H35ClN2O2/c1-23(31(36)33-27-18-9-4-10-19-27)34(22-26-17-11-12-20-29(26)32)30(35)21-28(24-13-5-2-6-14-24)25-15-7-3-8-16-25/h2-3,5-8,11-17,20,23,27-28H,4,9-10,18-19,21-22H2,1H3,(H,33,36)
InChIKeyKAANGVGJOLCNJZ-UHFFFAOYSA-N
MW503.09 g/mol
LogP6.73
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide

N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide (PubChem CID 132619736) has the molecular formula C31H35ClN2O2 and a molecular weight of 503.09 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
PubChem CID132619736
Molecular FormulaC31H35ClN2O2
Molecular Weight503.09 g/mol
Exact Mass502.24
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H35ClN2O2/c1-23(31(36)33-27-18-9-4-10-19-27)34(22-26-17-11-12-20-29(26)32)30(35)21-28(24-13-5-2-6-14-24)25-15-7-3-8-16-25/h2-3,5-8,11-17,20,23,27-28H,4,9-10,18-19,21-22H2,1H3,(H,33,36)
InChIKeyKAANGVGJOLCNJZ-UHFFFAOYSA-N
XLogP6.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.09
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
2-[(2-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 132616688
2-[3-benzylsulfanylpropanoyl-[(2-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132615853
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 132947550
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132627528
4-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]butanamide
CID 132624330
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132617876
2-[3-benzylsulfanylpropanoyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132613987
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132634818
2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 132610650
2-[(2-chlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylpropanamide
CID 132621266

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide (CID 132619736) is N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide is CC(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
The InChIKey is KAANGVGJOLCNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN2O2/c1-23(31(36)33-27-18-9-4-10-19-27)34(22-26-17-11-12-20-29(26)32)30(35)21-28(24-13-5-2-6-14-24)25-15-7-3-8-16-25/h2-3,5-8,11-17,20,23,27-28H,4,9-10,18-19,21-22H2,1H3,(H,33,36).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide?
N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 503.09 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 132619736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).