2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide

C12H14BrNO2 — CID 172648060

IUPAC2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CC2)c1Br
InChIInChI=1S/C12H14BrNO2/c1-16-10-4-2-3-9(11(10)13)12(15)14-7-8-5-6-8/h2-4,8H,5-7H2,1H3,(H,14,15)
InChIKeyDSIRJBYTTMOKEO-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.60
Rot. Bonds4

About 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide

2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide (PubChem CID 172648060) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
PubChem CID172648060
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CC2)c1Br
InChIInChI=1S/C12H14BrNO2/c1-16-10-4-2-3-9(11(10)13)12(15)14-7-8-5-6-8/h2-4,8H,5-7H2,1H3,(H,14,15)
InChIKeyDSIRJBYTTMOKEO-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
CID 172648061
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 106132057
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide (CID 172648060) is 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC2CC2)c1Br.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide?
The InChIKey is DSIRJBYTTMOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-10-4-2-3-9(11(10)13)12(15)14-7-8-5-6-8/h2-4,8H,5-7H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide?
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide has a molecular weight of 284.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 172648060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).