7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one

C14H19BrClNO — CID 116581614

IUPAC7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
SMILESCC(CCN)CCC(=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-10(6-7-17)2-5-13(18)8-11-3-4-12(15)9-14(11)16/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyUOHBEZVCSPDQCC-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.98
Rot. Bonds7

About 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one

7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one (PubChem CID 116581614) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
PubChem CID116581614
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
SMILESCC(CCN)CCC(=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-10(6-7-17)2-5-13(18)8-11-3-4-12(15)9-14(11)16/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyUOHBEZVCSPDQCC-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
1-(4-bromo-2-chlorophenyl)-4-(methylamino)butan-2-one
CID 116561127
5-amino-1-(2-chloro-4-methylphenyl)hexan-2-one
CID 106871241
4-amino-1-(4-bromo-2-chlorophenyl)hexan-2-one
CID 116609050
7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
CID 116578233
7-amino-1-(3,4-difluorophenyl)-5-methylheptan-2-one
CID 116581720
7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
CID 116581758
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
9-amino-7-methylnonan-4-one
CID 116581538
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
CID 81271124

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one?
The IUPAC name of 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one (CID 116581614) is 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one.
What is the SMILES notation for 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one?
The canonical SMILES for 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one is CC(CCN)CCC(=O)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one?
The InChIKey is UOHBEZVCSPDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-10(6-7-17)2-5-13(18)8-11-3-4-12(15)9-14(11)16/h3-4,9-10H,2,5-8,17H2,1H3.
What are the key properties of 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one?
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one has a molecular weight of 332.67 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one is sourced from PubChem (CID 116581614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).