2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C11H10Cl2FNO2 — CID 115764766

IUPAC2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2FNO2/c12-7-4-8(13)9(14)3-6(7)10(17)15-11(5-16)1-2-11/h3-4,16H,1-2,5H2,(H,15,17)
InChIKeyGPYWIXLOOJRQDD-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.39
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 115764766) has the molecular formula C11H10Cl2FNO2 and a molecular weight of 278.11 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID115764766
Molecular FormulaC11H10Cl2FNO2
Molecular Weight278.11 g/mol
Exact Mass277.01
IUPAC Name2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2FNO2/c12-7-4-8(13)9(14)3-6(7)10(17)15-11(5-16)1-2-11/h3-4,16H,1-2,5H2,(H,15,17)
InChIKeyGPYWIXLOOJRQDD-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
CID 82773291
2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
2,4-dichloro-5-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 47114810
2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
CID 65315016
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 115764766) is 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is O=C(NC1(CO)CC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is GPYWIXLOOJRQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO2/c12-7-4-8(13)9(14)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 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 278.11 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 115764766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).