cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide

C15H21FN2O — CID 99586249

IUPACcis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
SMILESNC(=O)[C@H]1CCCCC[C@H]1NCc1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c16-12-6-4-5-11(9-12)10-18-14-8-3-1-2-7-13(14)15(17)19/h4-6,9,13-14,18H,1-3,7-8,10H2,(H2,17,19)/t13-,14+/m0/s1
InChIKeyJDYKDYGFJPRQHM-UONOGXRCSA-N
MW264.34 g/mol
LogP2.35
Rot. Bonds4

About cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide

cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide (PubChem CID 99586249) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
PubChem CID99586249
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Namecis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
SMILESNC(=O)[C@H]1CCCCC[C@H]1NCc1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c16-12-6-4-5-11(9-12)10-18-14-8-3-1-2-7-13(14)15(17)19/h4-6,9,13-14,18H,1-3,7-8,10H2,(H2,17,19)/t13-,14+/m0/s1
InChIKeyJDYKDYGFJPRQHM-UONOGXRCSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide
CID 99636903
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 18453145
(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890029
cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
CID 101135573
(3R,4R)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890027

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide (CID 99586249) is cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide is NC(=O)[C@H]1CCCCC[C@H]1NCc1cccc(F)c1.
What is the InChIKey of cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide?
The InChIKey is JDYKDYGFJPRQHM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-12-6-4-5-11(9-12)10-18-14-8-3-1-2-7-13(14)15(17)19/h4-6,9,13-14,18H,1-3,7-8,10H2,(H2,17,19)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide?
cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide is sourced from PubChem (CID 99586249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).