[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride

C18H22Cl2N2O — CID 162143161

IUPAC[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride
SMILESCN(C)CCCNc1ccc(Cl)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-21(2)12-6-11-20-17-10-9-15(19)13-16(17)18(22)14-7-4-3-5-8-14;/h3-5,7-10,13,20H,6,11-12H2,1-2H3;1H
InChIKeyZKESTXHTKQWPHZ-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.36
Rot. Bonds7

About [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride

[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride (PubChem CID 162143161) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride
PubChem CID162143161
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride
SMILESCN(C)CCCNc1ccc(Cl)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-21(2)12-6-11-20-17-10-9-15(19)13-16(17)18(22)14-7-4-3-5-8-14;/h3-5,7-10,13,20H,6,11-12H2,1-2H3;1H
InChIKeyZKESTXHTKQWPHZ-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone
CID 154392827
4-chloro-2-[3-(dimethylamino)propylamino]benzoic acid
CID 63081984
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide
CID 15192415
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
CID 21152776
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride?
The IUPAC name of [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride (CID 162143161) is [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride?
The canonical SMILES for [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride is CN(C)CCCNc1ccc(Cl)cc1C(=O)c1ccccc1.Cl.
What is the InChIKey of [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride?
The InChIKey is ZKESTXHTKQWPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.ClH/c1-21(2)12-6-11-20-17-10-9-15(19)13-16(17)18(22)14-7-4-3-5-8-14;/h3-5,7-10,13,20H,6,11-12H2,1-2H3;1H.
What are the key properties of [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride?
[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 162143161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).