(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride

C15H22Cl2N2O — CID 119793408

IUPAC(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCCCN1C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-2-12-6-4-3-5-9-18(12)15(19)13-8-7-11(17)10-14(13)16;/h7-8,10,12H,2-6,9,17H2,1H3;1H
InChIKeyQCHHBFXYYIYYPV-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.14
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride

(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride (PubChem CID 119793408) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
PubChem CID119793408
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCCCN1C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-2-12-6-4-3-5-9-18(12)15(19)13-8-7-11(17)10-14(13)16;/h7-8,10,12H,2-6,9,17H2,1H3;1H
InChIKeyQCHHBFXYYIYYPV-UHFFFAOYSA-N
XLogP4.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride (CID 119793408) is (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride is CCC1CCCCCN1C(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
The InChIKey is QCHHBFXYYIYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-2-12-6-4-3-5-9-18(12)15(19)13-8-7-11(17)10-14(13)16;/h7-8,10,12H,2-6,9,17H2,1H3;1H.
What are the key properties of (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119793408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).