N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide

C12H16ClNO2 — CID 171836455

IUPACN-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-11(16)14-12(2,3)9-7-8(15)5-6-10(9)13/h5-7,15H,4H2,1-3H3,(H,14,16)
InChIKeyBJOARIPKEJPZTG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.81
Rot. Bonds3

About N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide

N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide (PubChem CID 171836455) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide
PubChem CID171836455
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-11(16)14-12(2,3)9-7-8(15)5-6-10(9)13/h5-7,15H,4H2,1-3H3,(H,14,16)
InChIKeyBJOARIPKEJPZTG-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butyl-4-hydroxyphenyl)propanamide
CID 18630003
N-[1-(2-chloro-5-hydroxyphenyl)cyclopropyl]propanamide
CID 171836453
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403
2-chloro-N-(4-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503218
4-chloro-3-(ethylamino)phenol
CID 146310841
N-(2-chloro-5-hydroxyphenyl)butanamide
CID 137473270
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
(2-chloro-5-hydroxyphenyl) propanoate
CID 101441480
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
CID 43679042
3-[(2-chloro-5-hydroxybenzoyl)amino]-3-ethylpentanoic acid
CID 138029072
2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
CID 43753845

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide?
The IUPAC name of N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide (CID 171836455) is N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide?
The canonical SMILES for N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide is CCC(=O)NC(C)(C)c1cc(O)ccc1Cl.
What is the InChIKey of N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide?
The InChIKey is BJOARIPKEJPZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-11(16)14-12(2,3)9-7-8(15)5-6-10(9)13/h5-7,15H,4H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide?
N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-hydroxyphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 171836455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).