3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide

C12H16ClNO2 — CID 43266072

IUPAC3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(O)c(Cl)c1)C(C)C
InChIInChI=1S/C12H16ClNO2/c1-4-14(8(2)3)12(16)9-5-6-11(15)10(13)7-9/h5-8,15H,4H2,1-3H3
InChIKeyMEGPPRBHTBTEJF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.92
Rot. Bonds3

About 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide

3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide (PubChem CID 43266072) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
PubChem CID43266072
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(O)c(Cl)c1)C(C)C
InChIInChI=1S/C12H16ClNO2/c1-4-14(8(2)3)12(16)9-5-6-11(15)10(13)7-9/h5-8,15H,4H2,1-3H3
InChIKeyMEGPPRBHTBTEJF-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide 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

3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide (CID 43266072) is 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide is CCN(C(=O)c1ccc(O)c(Cl)c1)C(C)C.
What is the InChIKey of 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is MEGPPRBHTBTEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-14(8(2)3)12(16)9-5-6-11(15)10(13)7-9/h5-8,15H,4H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide?
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 43266072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).