N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide

C12H13BrClNO — CID 115456213

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
SMILESO=C(NCC1(CBr)CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H13BrClNO/c13-7-12(4-5-12)8-15-11(16)9-2-1-3-10(14)6-9/h1-3,6H,4-5,7-8H2,(H,15,16)
InChIKeySNUVHJQMJVDBRN-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.24
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide (PubChem CID 115456213) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
PubChem CID115456213
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide
SMILESO=C(NCC1(CBr)CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H13BrClNO/c13-7-12(4-5-12)8-15-11(16)9-2-1-3-10(14)6-9/h1-3,6H,4-5,7-8H2,(H,15,16)
InChIKeySNUVHJQMJVDBRN-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chloro-4-methylbenzamide
CID 115456438
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115364317
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 114758444
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide (CID 115456213) is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide is O=C(NCC1(CBr)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide?
The InChIKey is SNUVHJQMJVDBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-7-12(4-5-12)8-15-11(16)9-2-1-3-10(14)6-9/h1-3,6H,4-5,7-8H2,(H,15,16).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide has a molecular weight of 302.60 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-chlorobenzamide is sourced from PubChem (CID 115456213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).