4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide

C19H21ClN2O3 — CID 4827142

IUPAC4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide
SMILESCOc1cccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O3/c1-25-17-5-2-4-14(12-17)13-22-18(23)6-3-11-21-19(24)15-7-9-16(20)10-8-15/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyQEJBPJAGRHMGQI-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.17
Rot. Bonds8

About 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide

4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide (PubChem CID 4827142) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide
PubChem CID4827142
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide
SMILESCOc1cccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O3/c1-25-17-5-2-4-14(12-17)13-22-18(23)6-3-11-21-19(24)15-7-9-16(20)10-8-15/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyQEJBPJAGRHMGQI-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenethyl)benzamide
CID 3083797
3-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
CID 132247308
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[3-(trifluoromethyl)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132247309
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132256749
2-chloro-N-(2-phenoxyethyl)benzamide
CID 602767
2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 602768
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
1-[(5-Methoxy-2-chlorobenzamido)-methyl]adamantane
CID 44352968
2-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 674895
4-Chloro-N-(3,4-dimethoxyphenethyl)benzamide
CID 300901
5-chloro-2-methoxy-N-(2-phenylethyl)benzamide
CID 118575

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide (CID 4827142) is 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide is COc1cccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide?
The InChIKey is QEJBPJAGRHMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-25-17-5-2-4-14(12-17)13-22-18(23)6-3-11-21-19(24)15-7-9-16(20)10-8-15/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(3-methoxyphenyl)methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 4827142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).