1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide

C16H23FN2O2 — CID 114839160

IUPAC1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(CN)CCCCCC2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-21-14-10-12(6-7-13(14)17)19-15(20)16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,18H2,1H3,(H,19,20)
InChIKeyLHVMGZIGJHMCBB-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.07
Rot. Bonds4

About 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide (PubChem CID 114839160) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
PubChem CID114839160
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(CN)CCCCCC2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-21-14-10-12(6-7-13(14)17)19-15(20)16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,18H2,1H3,(H,19,20)
InChIKeyLHVMGZIGJHMCBB-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide (CID 114839160) is 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide is COc1cc(NC(=O)C2(CN)CCCCCC2)ccc1F.
What is the InChIKey of 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide?
The InChIKey is LHVMGZIGJHMCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-14-10-12(6-7-13(14)17)19-15(20)16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 114839160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).