2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene

C14H13Cl2NO — CID 174473009

IUPAC2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
SMILESClc1ccccc1.NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO.C6H5Cl/c9-7-3-1-6(2-4-7)8(11)5-10;7-6-4-2-1-3-5-6/h1-4H,5,10H2;1-5H
InChIKeyGYVMSJAMMKTXIU-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.82
Rot. Bonds2

About 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene

2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene (PubChem CID 174473009) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
PubChem CID174473009
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
SMILESClc1ccccc1.NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO.C6H5Cl/c9-7-3-1-6(2-4-7)8(11)5-10;7-6-4-2-1-3-5-6/h1-4H,5,10H2;1-5H
InChIKeyGYVMSJAMMKTXIU-UHFFFAOYSA-N
XLogP3.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
4-amino-1-(4-chlorophenyl)butane-1,3-dione
CID 70490011
chlorobenzene;2-chloro-1-phenylethanone
CID 21408930
2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 83971734
4-[4-(2-aminoacetyl)phenyl]benzoic acid
CID 170860582
(E)-4-amino-3-(4-chlorophenyl)but-2-enoic acid
CID 6330869
2-amino-1-[4-(4-anilinophenyl)phenyl]ethanone
CID 67905535
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene?
The IUPAC name of 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene (CID 174473009) is 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene is Clc1ccccc1.NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene?
The InChIKey is GYVMSJAMMKTXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C6H5Cl/c9-7-3-1-6(2-4-7)8(11)5-10;7-6-4-2-1-3-5-6/h1-4H,5,10H2;1-5H.
What are the key properties of 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene?
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene has a molecular weight of 282.17 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene is sourced from PubChem (CID 174473009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).