3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide

C18H20ClNO2 — CID 84533270

IUPAC3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-5-3-6-14(11-13)7-4-10-20-18(21)15-8-9-17(22-2)16(19)12-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyBLABPTZJXVQMCJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.02
Rot. Bonds6

About 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide

3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide (PubChem CID 84533270) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
PubChem CID84533270
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-5-3-6-14(11-13)7-4-10-20-18(21)15-8-9-17(22-2)16(19)12-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyBLABPTZJXVQMCJ-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264
3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
CID 100552706
3-chloro-N-[3-(3-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909714
1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
CID 84518898
2-(3-chloro-4-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109262632
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3-cyanobenzamide
CID 110787591
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide (CID 84533270) is 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide is COc1ccc(C(=O)NCCCc2cccc(C)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide?
The InChIKey is BLABPTZJXVQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-5-3-6-14(11-13)7-4-10-20-18(21)15-8-9-17(22-2)16(19)12-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21).
What are the key properties of 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide?
3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 84533270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).