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

C11H13ClFNO2 — CID 103876616

IUPAC4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(15)6-14(2)11(16)8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3
InChIKeyYKCVTYIWNHZVFZ-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.93
Rot. Bonds3

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

4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide (PubChem CID 103876616) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
PubChem CID103876616
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(15)6-14(2)11(16)8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3
InChIKeyYKCVTYIWNHZVFZ-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-methyl-N-prop-2-ynylbenzamide
CID 100610965
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide
CID 107992430
3,5-difluoro-N-(2-hydroxypropyl)-N-methyl-4-(methylamino)benzamide
CID 63185592
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
3-[(4-chloro-3-fluorobenzoyl)-ethylamino]butanoic acid
CID 114025721
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide (CID 103876616) is 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide is CC(O)CN(C)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
The InChIKey is YKCVTYIWNHZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(15)6-14(2)11(16)8-3-4-9(12)10(13)5-8/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide has a molecular weight of 245.68 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide is sourced from PubChem (CID 103876616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).