N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide

C14H17ClFNO — CID 113272385

IUPACN-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CCl)CCCC2)c1
InChIInChI=1S/C14H17ClFNO/c1-10-4-5-12(16)11(8-10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyFOCVHHHROAZRMR-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide

N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide (PubChem CID 113272385) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
PubChem CID113272385
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(CCl)CCCC2)c1
InChIInChI=1S/C14H17ClFNO/c1-10-4-5-12(16)11(8-10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyFOCVHHHROAZRMR-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.42
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-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
CID 63766481
3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
CID 114303388
N-[1-(chloromethyl)cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672614
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
CID 114300674
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide (CID 113272385) is N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2(CCl)CCCC2)c1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide?
The InChIKey is FOCVHHHROAZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-10-4-5-12(16)11(8-10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide?
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide has a molecular weight of 269.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 113272385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).