4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide

C17H18ClNO — CID 81375390

IUPAC4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1[C@H](C)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C17H18ClNO/c1-12-5-3-4-6-16(12)13(2)19-17(20)15-9-7-14(11-18)8-10-15/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyOYUJHTILHFRFAO-ZDUSSCGKSA-N
MW287.79 g/mol
LogP4.22
Rot. Bonds4

About 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide

4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide (PubChem CID 81375390) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
PubChem CID81375390
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1[C@H](C)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C17H18ClNO/c1-12-5-3-4-6-16(12)13(2)19-17(20)15-9-7-14(11-18)8-10-15/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyOYUJHTILHFRFAO-ZDUSSCGKSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
CID 119327103
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762317
N-[1-(2-methylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 24594477

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide (CID 81375390) is 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1[C@H](C)NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is OYUJHTILHFRFAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-5-3-4-6-16(12)13(2)19-17(20)15-9-7-14(11-18)8-10-15/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide?
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 81375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).