N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide

C17H18ClNO2 — CID 2916459

IUPACN-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)10-17(20)19-15-11-14(18)8-9-16(15)21-2/h3-9,11-12H,10H2,1-2H3,(H,19,20)
InChIKeyJPXPUXXVYZLUGN-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.48
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide

N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide (PubChem CID 2916459) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide
PubChem CID2916459
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)10-17(20)19-15-11-14(18)8-9-16(15)21-2/h3-9,11-12H,10H2,1-2H3,(H,19,20)
InChIKeyJPXPUXXVYZLUGN-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98791
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N-(5-Chloro-2-methoxyphenyl)-2-methylbenzamide
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N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
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2'-Methoxy-2-phenylacetanilide
CID 258229
N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
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Benzamide, N-(4-amino-5-chloro-2-methoxyphenyl)-
CID 80727
N-(3-Chlorophenyl)-3-(4-methoxyphenyl)propanamide
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1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate
CID 4885255
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide (CID 2916459) is N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide is COc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide?
The InChIKey is JPXPUXXVYZLUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)10-17(20)19-15-11-14(18)8-9-16(15)21-2/h3-9,11-12H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide?
N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide has a molecular weight of 303.79 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide is sourced from PubChem (CID 2916459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).