N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

C28H30Cl2N2O2 — CID 132618963

IUPACN-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C28H30Cl2N2O2/c1-19(28(34)31-23-10-3-4-11-23)32(18-20-13-15-25(29)26(30)17-20)27(33)16-14-22-9-6-8-21-7-2-5-12-24(21)22/h2,5-9,12-13,15,17,19,23H,3-4,10-11,14,16,18H2,1H3,(H,31,34)
InChIKeyLFYNXQKUSLXIAW-UHFFFAOYSA-N
MW497.47 g/mol
LogP6.56
Rot. Bonds8

About N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (PubChem CID 132618963) has the molecular formula C28H30Cl2N2O2 and a molecular weight of 497.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
PubChem CID132618963
Molecular FormulaC28H30Cl2N2O2
Molecular Weight497.47 g/mol
Exact Mass496.17
IUPAC NameN-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C28H30Cl2N2O2/c1-19(28(34)31-23-10-3-4-11-23)32(18-20-13-15-25(29)26(30)17-20)27(33)16-14-22-9-6-8-21-7-2-5-12-24(21)22/h2,5-9,12-13,15,17,19,23H,3-4,10-11,14,16,18H2,1H3,(H,31,34)
InChIKeyLFYNXQKUSLXIAW-UHFFFAOYSA-N
XLogP6.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.47
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
CID 100704329
N-cyclohexyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132613628
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132620793
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 132616163
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100500438
N-cyclohexyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132621611
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 133174632
N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132621608
2-[3-(2-chlorophenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132620630
(2S)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 100501441
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 132624430
2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132612056

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (CID 132618963) is N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is CC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The InChIKey is LFYNXQKUSLXIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O2/c1-19(28(34)31-23-10-3-4-11-23)32(18-20-13-15-25(29)26(30)17-20)27(33)16-14-22-9-6-8-21-7-2-5-12-24(21)22/h2,5-9,12-13,15,17,19,23H,3-4,10-11,14,16,18H2,1H3,(H,31,34).
What are the key properties of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide has a molecular weight of 497.47 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is sourced from PubChem (CID 132618963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).