N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide

C17H24F2N2O — CID 119610887

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
SMILESNCC1CCCCC1NC(=O)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O/c18-14-9-8-12(10-15(14)19)4-3-7-17(22)21-16-6-2-1-5-13(16)11-20/h8-10,13,16H,1-7,11,20H2,(H,21,22)
InChIKeyJTLZFFPZRMORBQ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide

N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide (PubChem CID 119610887) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
PubChem CID119610887
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
SMILESNCC1CCCCC1NC(=O)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O/c18-14-9-8-12(10-15(14)19)4-3-7-17(22)21-16-6-2-1-5-13(16)11-20/h8-10,13,16H,1-7,11,20H2,(H,21,22)
InChIKeyJTLZFFPZRMORBQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860383
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119612184
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide (CID 119610887) is N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide is NCC1CCCCC1NC(=O)CCCc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide?
The InChIKey is JTLZFFPZRMORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-14-9-8-12(10-15(14)19)4-3-7-17(22)21-16-6-2-1-5-13(16)11-20/h8-10,13,16H,1-7,11,20H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide?
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide has a molecular weight of 310.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide is sourced from PubChem (CID 119610887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).