3-chloro-N-[(3-methylphenyl)methyl]propanamide

C11H14ClNO — CID 60913115

IUPAC3-chloro-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCCl)c1
InChIInChI=1S/C11H14ClNO/c1-9-3-2-4-10(7-9)8-13-11(14)5-6-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyQMNRBJOURDDLLE-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.24
Rot. Bonds4

About 3-chloro-N-[(3-methylphenyl)methyl]propanamide

3-chloro-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 60913115) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methylphenyl)methyl]propanamide
PubChem CID60913115
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCCl)c1
InChIInChI=1S/C11H14ClNO/c1-9-3-2-4-10(7-9)8-13-11(14)5-6-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyQMNRBJOURDDLLE-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.24
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-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-benzyl-3-chloropropanamide
CID 10391
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913
(3-methylphenyl)methylurea
CID 60776531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(3-methylphenyl)methyl]propanamide (CID 60913115) is 3-chloro-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is QMNRBJOURDDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9-3-2-4-10(7-9)8-13-11(14)5-6-12/h2-4,7H,5-6,8H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[(3-methylphenyl)methyl]propanamide?
3-chloro-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 211.69 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 60913115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).