(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone

C14H17ClFNO — CID 116917613

IUPAC(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO/c1-17-11-5-2-9(3-6-11)14(18)12-8-10(15)4-7-13(12)16/h4,7-9,11,17H,2-3,5-6H2,1H3
InChIKeyZEEIBCYERVQJSM-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.44
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone

(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone (PubChem CID 116917613) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
PubChem CID116917613
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO/c1-17-11-5-2-9(3-6-11)14(18)12-8-10(15)4-7-13(12)16/h4,7-9,11,17H,2-3,5-6H2,1H3
InChIKeyZEEIBCYERVQJSM-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
CID 10868327
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 114975097
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917636
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone (CID 116917613) is (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone is CNC1CCC(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
The InChIKey is ZEEIBCYERVQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-17-11-5-2-9(3-6-11)14(18)12-8-10(15)4-7-13(12)16/h4,7-9,11,17H,2-3,5-6H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone has a molecular weight of 269.75 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 116917613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).