N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide

C22H20ClNO2 — CID 57401699

IUPACN-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide
SMILESO=C(CCCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClNO2/c23-18-9-6-10-19(16-18)24-22(25)14-5-8-17-7-4-13-21(15-17)26-20-11-2-1-3-12-20/h1-4,6-7,9-13,15-16H,5,8,14H2,(H,24,25)
InChIKeyBHKAEZGZVWTBLE-UHFFFAOYSA-N
MW365.86 g/mol
LogP6.09
Rot. Bonds7

About N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide

N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide (PubChem CID 57401699) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide
PubChem CID57401699
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC NameN-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide
SMILESO=C(CCCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClNO2/c23-18-9-6-10-19(16-18)24-22(25)14-5-8-17-7-4-13-21(15-17)26-20-11-2-1-3-12-20/h1-4,6-7,9-13,15-16H,5,8,14H2,(H,24,25)
InChIKeyBHKAEZGZVWTBLE-UHFFFAOYSA-N
XLogP6.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide (CID 57401699) is N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide is O=C(CCCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide?
The InChIKey is BHKAEZGZVWTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c23-18-9-6-10-19(16-18)24-22(25)14-5-8-17-7-4-13-21(15-17)26-20-11-2-1-3-12-20/h1-4,6-7,9-13,15-16H,5,8,14H2,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide?
N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide has a molecular weight of 365.86 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide is sourced from PubChem (CID 57401699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).