4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide

C18H20ClNO — CID 99994348

IUPAC4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H20ClNO/c1-4-17(15-6-5-12(2)13(3)11-15)20-18(21)14-7-9-16(19)10-8-14/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyCBXRJQWMRKMUGB-KRWDZBQOSA-N
MW301.82 g/mol
LogP4.84
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide

4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide (PubChem CID 99994348) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
PubChem CID99994348
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H20ClNO/c1-4-17(15-6-5-12(2)13(3)11-15)20-18(21)14-7-9-16(19)10-8-14/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyCBXRJQWMRKMUGB-KRWDZBQOSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014052
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-nitrobenzamide
CID 99995187
4-chloro-N-[1-(3,4-dimethylphenyl)propyl]-3-nitrobenzamide
CID 132652762
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide (CID 99994348) is 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide?
The InChIKey is CBXRJQWMRKMUGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-4-17(15-6-5-12(2)13(3)11-15)20-18(21)14-7-9-16(19)10-8-14/h5-11,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide?
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide has a molecular weight of 301.82 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide is sourced from PubChem (CID 99994348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).