N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide

C15H19ClFNO2 — CID 114303483

IUPACN-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CCl)CCCCC2)cc1F
InChIInChI=1S/C15H19ClFNO2/c1-20-13-6-5-11(9-12(13)17)14(19)18-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyRAEZRFDPAGLJEP-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.51
Rot. Bonds4

About N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide

N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide (PubChem CID 114303483) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
PubChem CID114303483
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CCl)CCCCC2)cc1F
InChIInChI=1S/C15H19ClFNO2/c1-20-13-6-5-11(9-12(13)17)14(19)18-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyRAEZRFDPAGLJEP-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
N-[1-(chloromethyl)cyclohexyl]-2,5-dimethoxybenzamide
CID 114303372
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide (CID 114303483) is N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2(CCl)CCCCC2)cc1F.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is RAEZRFDPAGLJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-13-6-5-11(9-12(13)17)14(19)18-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 299.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 114303483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).