2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide

C17H18ClNO2 — CID 95214626

IUPAC2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccc([C@H](C)OC)c2)ccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11(21-3)12-5-4-6-13(9-12)14-7-8-16(18)15(10-14)17(20)19-2/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyQHMMMKKHNIORPN-NSHDSACASA-N
MW303.79 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide

2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide (PubChem CID 95214626) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide
PubChem CID95214626
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccc([C@H](C)OC)c2)ccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11(21-3)12-5-4-6-13(9-12)14-7-8-16(18)15(10-14)17(20)19-2/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyQHMMMKKHNIORPN-NSHDSACASA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
CID 126447046
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126433393
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
3-[3-(1-methoxyethyl)phenyl]-5-(propan-2-ylsulfamoyl)benzoic acid
CID 56864067
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide (CID 95214626) is 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide is CNC(=O)c1cc(-c2cccc([C@H](C)OC)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide?
The InChIKey is QHMMMKKHNIORPN-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(21-3)12-5-4-6-13(9-12)14-7-8-16(18)15(10-14)17(20)19-2/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide?
2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 95214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).