2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide

C20H24ClNO3 — CID 100521380

IUPAC2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2Cl)cc1OCC
InChIInChI=1S/C20H24ClNO3/c1-5-24-18-10-8-15(12-19(18)25-6-2)14(4)22-20(23)16-9-7-13(3)11-17(16)21/h7-12,14H,5-6H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyUKQJWBKPUBTSRO-CQSZACIVSA-N
MW361.87 g/mol
LogP4.94
Rot. Bonds7

About 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide

2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 100521380) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID100521380
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2Cl)cc1OCC
InChIInChI=1S/C20H24ClNO3/c1-5-24-18-10-8-15(12-19(18)25-6-2)14(4)22-20(23)16-9-7-13(3)11-17(16)21/h7-12,14H,5-6H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyUKQJWBKPUBTSRO-CQSZACIVSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 43916181
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99952414
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide (CID 100521380) is 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is UKQJWBKPUBTSRO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-5-24-18-10-8-15(12-19(18)25-6-2)14(4)22-20(23)16-9-7-13(3)11-17(16)21/h7-12,14H,5-6H2,1-4H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide?
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 361.87 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 100521380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).