(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone

C13H15Cl2NO — CID 116550512

IUPAC(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
SMILESNC1(C(=O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-9-4-5-11(15)10(8-9)12(17)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2
InChIKeyMGUPKOSDRPPPFV-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.84
Rot. Bonds2

About (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone

(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone (PubChem CID 116550512) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
PubChem CID116550512
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
SMILESNC1(C(=O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-9-4-5-11(15)10(8-9)12(17)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2
InChIKeyMGUPKOSDRPPPFV-UHFFFAOYSA-N
XLogP3.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116550553
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
2-[1-(2-carboxy-4-chlorophenyl)cyclohexyl]-5-chlorobenzoic acid
CID 139725117
(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone (CID 116550512) is (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone is NC1(C(=O)c2cc(Cl)ccc2Cl)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is MGUPKOSDRPPPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-9-4-5-11(15)10(8-9)12(17)13(16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,16H2.
What are the key properties of (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone?
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 272.17 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 116550512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).