N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide

C15H18ClF2NO — CID 114303421

IUPACN-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NC1(CCl)CCCCC1
InChIInChI=1S/C15H18ClF2NO/c16-10-15(6-2-1-3-7-15)19-14(20)9-11-4-5-12(17)13(18)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyMHOZPPGDGXWRIU-UHFFFAOYSA-N
MW301.76 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide

N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 114303421) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID114303421
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)NC1(CCl)CCCCC1
InChIInChI=1S/C15H18ClF2NO/c16-10-15(6-2-1-3-7-15)19-14(20)9-11-4-5-12(17)13(18)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyMHOZPPGDGXWRIU-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 53.57
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

2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid
CID 120521992
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 82920793
1-[[[2-(3,4-difluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445278
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
CID 114303953

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide (CID 114303421) is N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)NC1(CCl)CCCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is MHOZPPGDGXWRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c16-10-15(6-2-1-3-7-15)19-14(20)9-11-4-5-12(17)13(18)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide?
N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 301.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114303421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).