3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

C16H23FN2O2 — CID 119777508

IUPAC3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCOCc1cc(CNC(=O)C2CCCC(N)C2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-21-10-13-7-11(5-6-15(13)17)9-19-16(20)12-3-2-4-14(18)8-12/h5-7,12,14H,2-4,8-10,18H2,1H3,(H,19,20)
InChIKeyZZUUIRHXVXWFJB-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.11
Rot. Bonds5

About 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119777508) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119777508
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCOCc1cc(CNC(=O)C2CCCC(N)C2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-21-10-13-7-11(5-6-15(13)17)9-19-16(20)12-3-2-4-14(18)8-12/h5-7,12,14H,2-4,8-10,18H2,1H3,(H,19,20)
InChIKeyZZUUIRHXVXWFJB-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 119777508) is 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is COCc1cc(CNC(=O)C2CCCC(N)C2)ccc1F.
What is the InChIKey of 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ZZUUIRHXVXWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-10-13-7-11(5-6-15(13)17)9-19-16(20)12-3-2-4-14(18)8-12/h5-7,12,14H,2-4,8-10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119777508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).