N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide

C15H14ClNO2 — CID 63936302

IUPACN-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H14ClNO2/c16-13-10-12(7-8-14(13)18)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,17,19)
InChIKeyNDPJJJCGYGUYAV-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.62
Rot. Bonds4

About N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide

N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 63936302) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
PubChem CID63936302
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H14ClNO2/c16-13-10-12(7-8-14(13)18)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,17,19)
InChIKeyNDPJJJCGYGUYAV-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
N-[3-chloro-4-(1,3-diiminopropan-2-yl)phenyl]-3-phenylpropanamide
CID 123776383
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide (CID 63936302) is N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is NDPJJJCGYGUYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-10-12(7-8-14(13)18)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,17,19).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide?
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 275.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 63936302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).