4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide

C13H16ClNO2 — CID 115878155

IUPAC4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CO)CCC2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-9-7-10(3-4-11(9)14)12(17)15-13(8-16)5-2-6-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyZRXLWWQAJNSYCU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.29
Rot. Bonds3

About 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide

4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide (PubChem CID 115878155) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
PubChem CID115878155
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CO)CCC2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-9-7-10(3-4-11(9)14)12(17)15-13(8-16)5-2-6-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyZRXLWWQAJNSYCU-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
N-[1-(hydroxymethyl)cyclobutyl]-2H-benzotriazole-5-carboxamide
CID 115878496
3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 115878600

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
The IUPAC name of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide (CID 115878155) is 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide is Cc1cc(C(=O)NC2(CO)CCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
The InChIKey is ZRXLWWQAJNSYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-7-10(3-4-11(9)14)12(17)15-13(8-16)5-2-6-13/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide?
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide is sourced from PubChem (CID 115878155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).