N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide

C23H22ClNO2 — CID 17073364

IUPACN-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C23H22ClNO2/c1-3-22(23(26)25-19-12-9-16(2)21(24)15-19)27-20-13-10-18(11-14-20)17-7-5-4-6-8-17/h4-15,22H,3H2,1-2H3,(H,25,26)
InChIKeyAKKXGYNBEKTPBX-UHFFFAOYSA-N
MW379.89 g/mol
LogP6.11
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide

N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide (PubChem CID 17073364) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
PubChem CID17073364
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C23H22ClNO2/c1-3-22(23(26)25-19-12-9-16(2)21(24)15-19)27-20-13-10-18(11-14-20)17-7-5-4-6-8-17/h4-15,22H,3H2,1-2H3,(H,25,26)
InChIKeyAKKXGYNBEKTPBX-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 17073316
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
methyl 2-chloro-5-[[(2R)-2-phenoxybutanoyl]amino]benzoate
CID 40747377
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxybutanamide
CID 46303374
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide (CID 17073364) is N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide?
The InChIKey is AKKXGYNBEKTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-3-22(23(26)25-19-12-9-16(2)21(24)15-19)27-20-13-10-18(11-14-20)17-7-5-4-6-8-17/h4-15,22H,3H2,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide?
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide has a molecular weight of 379.89 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide is sourced from PubChem (CID 17073364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).