2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide

C12H14ClNO3 — CID 143035979

IUPAC2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C=O)CO)c(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-8-2-3-10(11(13)4-8)12(17)14-5-9(6-15)7-16/h2-4,6,9,16H,5,7H2,1H3,(H,14,17)
InChIKeyYWUVLANYUJELBY-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.19
Rot. Bonds5

About 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide

2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide (PubChem CID 143035979) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide
PubChem CID143035979
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C=O)CO)c(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-8-2-3-10(11(13)4-8)12(17)14-5-9(6-15)7-16/h2-4,6,9,16H,5,7H2,1H3,(H,14,17)
InChIKeyYWUVLANYUJELBY-UHFFFAOYSA-N
XLogP1.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide 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-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
2-chloro-N-(2-chloro-3-methylbutyl)-4-methylbenzamide
CID 106864028
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-methylbenzamide
CID 106861296
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 103581958
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide (CID 143035979) is 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(C=O)CO)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide?
The InChIKey is YWUVLANYUJELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8-2-3-10(11(13)4-8)12(17)14-5-9(6-15)7-16/h2-4,6,9,16H,5,7H2,1H3,(H,14,17).
What are the key properties of 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide?
2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide has a molecular weight of 255.70 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide is sourced from PubChem (CID 143035979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).