N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide

C14H16BrClFNO — CID 113294802

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
SMILESO=C(NCC1(CBr)CCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H16BrClFNO/c15-8-14(5-1-2-6-14)9-18-13(19)11-4-3-10(16)7-12(11)17/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyMHWHVCQQNVDPQU-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.16
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide (PubChem CID 113294802) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
PubChem CID113294802
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
SMILESO=C(NCC1(CBr)CCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H16BrClFNO/c15-8-14(5-1-2-6-14)9-18-13(19)11-4-3-10(16)7-12(11)17/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyMHWHVCQQNVDPQU-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.16
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

4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
CID 115456399
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide (CID 113294802) is N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide is O=C(NCC1(CBr)CCCC1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide?
The InChIKey is MHWHVCQQNVDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-8-14(5-1-2-6-14)9-18-13(19)11-4-3-10(16)7-12(11)17/h3-4,7H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide has a molecular weight of 348.64 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 113294802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).