N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide

C16H16ClNO2 — CID 50882557

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-2-15(19)18-14-9-8-12(17)10-13(14)16(20)11-6-4-3-5-7-11/h3-10,16,20H,2H2,1H3,(H,18,19)
InChIKeyYXSZGKKYBSOMPJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.77
Rot. Bonds4

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide (PubChem CID 50882557) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
PubChem CID50882557
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-2-15(19)18-14-9-8-12(17)10-13(14)16(20)11-6-4-3-5-7-11/h3-10,16,20H,2H2,1H3,(H,18,19)
InChIKeyYXSZGKKYBSOMPJ-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
CID 95733655
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 95733658
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-phenylphenoxy)acetamide
CID 95733672
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 95733640
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide (CID 50882557) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide?
The InChIKey is YXSZGKKYBSOMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-15(19)18-14-9-8-12(17)10-13(14)16(20)11-6-4-3-5-7-11/h3-10,16,20H,2H2,1H3,(H,18,19).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide has a molecular weight of 289.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide is sourced from PubChem (CID 50882557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).