4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide

C12H14BrNO2 — CID 115877703

IUPAC4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CO)CC2)ccc1Br
InChIInChI=1S/C12H14BrNO2/c1-8-6-9(2-3-10(8)13)11(16)14-12(7-15)4-5-12/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyZJUQPFHRSSBNJX-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.01
Rot. Bonds3

About 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide

4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide (PubChem CID 115877703) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
PubChem CID115877703
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CO)CC2)ccc1Br
InChIInChI=1S/C12H14BrNO2/c1-8-6-9(2-3-10(8)13)11(16)14-12(7-15)4-5-12/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyZJUQPFHRSSBNJX-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
4-bromo-3-methyl-N-(1-methylcyclopropyl)sulfonylbenzamide
CID 136542591
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide (CID 115877703) is 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide is Cc1cc(C(=O)NC2(CO)CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide?
The InChIKey is ZJUQPFHRSSBNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-6-9(2-3-10(8)13)11(16)14-12(7-15)4-5-12/h2-3,6,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide?
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide has a molecular weight of 284.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide is sourced from PubChem (CID 115877703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).