N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide

C17H18ClNO2 — CID 2922609

IUPACN-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-3-14(12-7-5-4-6-8-12)17(20)19-13-9-10-16(21-2)15(18)11-13/h4-11,14H,3H2,1-2H3,(H,19,20)
InChIKeyIQPMMRNRUZCDGB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.48
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide

N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide (PubChem CID 2922609) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide
PubChem CID2922609
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-3-14(12-7-5-4-6-8-12)17(20)19-13-9-10-16(21-2)15(18)11-13/h4-11,14H,3H2,1-2H3,(H,19,20)
InChIKeyIQPMMRNRUZCDGB-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide (CID 2922609) is N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide?
The InChIKey is IQPMMRNRUZCDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-14(12-7-5-4-6-8-12)17(20)19-13-9-10-16(21-2)15(18)11-13/h4-11,14H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide?
N-(3-chloro-4-methoxyphenyl)-2-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-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide is sourced from PubChem (CID 2922609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).