2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide

C12H13Cl2NO2 — CID 115878522

IUPAC2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-8-2-3-9(10(14)6-8)11(17)15-12(7-16)4-1-5-12/h2-3,6,16H,1,4-5,7H2,(H,15,17)
InChIKeyOGRWPOVQNMQPAA-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.64
Rot. Bonds3

About 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide

2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide (PubChem CID 115878522) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
PubChem CID115878522
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-8-2-3-9(10(14)6-8)11(17)15-12(7-16)4-1-5-12/h2-3,6,16H,1,4-5,7H2,(H,15,17)
InChIKeyOGRWPOVQNMQPAA-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
CID 86797002
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide (CID 115878522) is 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide is O=C(NC1(CO)CCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The InChIKey is OGRWPOVQNMQPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-8-2-3-9(10(14)6-8)11(17)15-12(7-16)4-1-5-12/h2-3,6,16H,1,4-5,7H2,(H,15,17).
What are the key properties of 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide has a molecular weight of 274.15 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide is sourced from PubChem (CID 115878522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).