bis(2-amino-4-chlorophenyl)methanone

C13H10Cl2N2O — CID 15130044

IUPACbis(2-amino-4-chlorophenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H10Cl2N2O/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6H,16-17H2
InChIKeyZDXUOKBMANBFMM-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.39
Rot. Bonds2

About bis(2-amino-4-chlorophenyl)methanone

bis(2-amino-4-chlorophenyl)methanone (PubChem CID 15130044) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is bis(2-amino-4-chlorophenyl)methanone.

Molecular Properties

Compound Namebis(2-amino-4-chlorophenyl)methanone
PubChem CID15130044
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Namebis(2-amino-4-chlorophenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H10Cl2N2O/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6H,16-17H2
InChIKeyZDXUOKBMANBFMM-UHFFFAOYSA-N
XLogP3.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830780
azanium 2-amino-4-chlorobenzoate
CID 23030471
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
(2-amino-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2389727
1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
CID 21474024
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
(2S)-2-amino-4-(2-amino-4-chlorophenyl)-2-deuterio-4-oxobutanoic acid
CID 140931095

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-4-chlorophenyl)methanone?
The IUPAC name of bis(2-amino-4-chlorophenyl)methanone (CID 15130044) is bis(2-amino-4-chlorophenyl)methanone.
What is the SMILES notation for bis(2-amino-4-chlorophenyl)methanone?
The canonical SMILES for bis(2-amino-4-chlorophenyl)methanone is Nc1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of bis(2-amino-4-chlorophenyl)methanone?
The InChIKey is ZDXUOKBMANBFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6H,16-17H2.
What are the key properties of bis(2-amino-4-chlorophenyl)methanone?
bis(2-amino-4-chlorophenyl)methanone has a molecular weight of 281.14 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-4-chlorophenyl)methanone is sourced from PubChem (CID 15130044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).