3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

C12H13BrClNO2 — CID 103842937

IUPAC3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H13BrClNO2/c13-9-5-8(1-2-10(9)14)11(17)15-6-12(7-16)3-4-12/h1-2,5,16H,3-4,6-7H2,(H,15,17)
InChIKeyBQWIDNAMFROMCI-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.60
Rot. Bonds4

About 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (PubChem CID 103842937) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
PubChem CID103842937
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H13BrClNO2/c13-9-5-8(1-2-10(9)14)11(17)15-6-12(7-16)3-4-12/h1-2,5,16H,3-4,6-7H2,(H,15,17)
InChIKeyBQWIDNAMFROMCI-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720
3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (CID 103842937) is 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is O=C(NCC1(CO)CC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The InChIKey is BQWIDNAMFROMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-9-5-8(1-2-10(9)14)11(17)15-6-12(7-16)3-4-12/h1-2,5,16H,3-4,6-7H2,(H,15,17).
What are the key properties of 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide has a molecular weight of 318.60 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 103842937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).