4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide

C13H16F2N2O — CID 60847397

IUPAC4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c14-11-6-5-10(7-12(11)15)17-13(18)8-1-3-9(16)4-2-8/h5-9H,1-4,16H2,(H,17,18)
InChIKeyKGUFCDDPMZZFRN-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide

4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide (PubChem CID 60847397) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
PubChem CID60847397
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c14-11-6-5-10(7-12(11)15)17-13(18)8-1-3-9(16)4-2-8/h5-9H,1-4,16H2,(H,17,18)
InChIKeyKGUFCDDPMZZFRN-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-(3,4-difluorophenyl)-6-methylpiperidine-3-carboxamide
CID 24710588
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide (CID 60847397) is 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is KGUFCDDPMZZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-6-5-10(7-12(11)15)17-13(18)8-1-3-9(16)4-2-8/h5-9H,1-4,16H2,(H,17,18).
What are the key properties of 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide?
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).