N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide

C24H29ClN2O4 — CID 25445999

IUPACN-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C24H29ClN2O4/c1-16(23(28)26-19-9-5-6-10-19)27(15-18-8-4-7-11-20(18)25)24(29)17-12-13-21(30-2)22(14-17)31-3/h4,7-8,11-14,16,19H,5-6,9-10,15H2,1-3H3,(H,26,28)/t16-/m1/s1
InChIKeyFXFHSPKLLSZFOO-MRXNPFEDSA-N
MW444.96 g/mol
LogP4.45
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide

N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide (PubChem CID 25445999) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
PubChem CID25445999
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C24H29ClN2O4/c1-16(23(28)26-19-9-5-6-10-19)27(15-18-8-4-7-11-20(18)25)24(29)17-12-13-21(30-2)22(14-17)31-3/h4,7-8,11-14,16,19H,5-6,9-10,15H2,1-3H3,(H,26,28)/t16-/m1/s1
InChIKeyFXFHSPKLLSZFOO-MRXNPFEDSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 25448951
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132617876
(2R)-2-[(2-chlorophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594011
2-[(2-chlorophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177166
2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132646671
(2R)-2-[(2-chlorophenyl)methyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125062072
2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 132610650
N-[(2-chlorophenyl)methyl]-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 132615822
N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
CID 132619736
2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132644645
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132633095
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 100501573

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide (CID 25445999) is N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is FXFHSPKLLSZFOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-16(23(28)26-19-9-5-6-10-19)27(15-18-8-4-7-11-20(18)25)24(29)17-12-13-21(30-2)22(14-17)31-3/h4,7-8,11-14,16,19H,5-6,9-10,15H2,1-3H3,(H,26,28)/t16-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide?
N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 444.96 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 25445999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).