N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide

C23H22ClNO2 — CID 132656978

IUPACN-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H22ClNO2/c1-16-15-20(13-14-21(16)24)27-17(2)23(26)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,22H,1-2H3,(H,25,26)
InChIKeyCUJYOHOFONNIPJ-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.32
Rot. Bonds6

About N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide

N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide (PubChem CID 132656978) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
PubChem CID132656978
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC NameN-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H22ClNO2/c1-16-15-20(13-14-21(16)24)27-17(2)23(26)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,22H,1-2H3,(H,25,26)
InChIKeyCUJYOHOFONNIPJ-UHFFFAOYSA-N
XLogP5.32
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 ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
2-(3-chlorophenoxy)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772545
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
CID 129439724
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide?
The IUPAC name of N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide (CID 132656978) is N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide.
What is the SMILES notation for N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide?
The canonical SMILES for N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide is Cc1cc(OC(C)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl.
What is the InChIKey of N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide?
The InChIKey is CUJYOHOFONNIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-16-15-20(13-14-21(16)24)27-17(2)23(26)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,22H,1-2H3,(H,25,26).
What are the key properties of N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide?
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide has a molecular weight of 379.89 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 132656978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).