2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C11H10ClF2NO2 — CID 113337541

IUPAC2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H10ClF2NO2/c12-7-4-9(14)8(13)3-6(7)10(17)15-11(5-16)1-2-11/h3-4,16H,1-2,5H2,(H,15,17)
InChIKeyRZNZPBIWTCVPTK-UHFFFAOYSA-N
MW261.65 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 113337541) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID113337541
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H10ClF2NO2/c12-7-4-9(14)8(13)3-6(7)10(17)15-11(5-16)1-2-11/h3-4,16H,1-2,5H2,(H,15,17)
InChIKeyRZNZPBIWTCVPTK-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide 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

2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 113337541) is 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is O=C(NC1(CO)CC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is RZNZPBIWTCVPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-7-4-9(14)8(13)3-6(7)10(17)15-11(5-16)1-2-11/h3-4,16H,1-2,5H2,(H,15,17).
What are the key properties of 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 261.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 113337541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).