1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone

C17H18ClNO — CID 116552334

IUPAC1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C17H18ClNO/c1-11(2)13-5-3-12(4-6-13)9-17(20)14-7-8-15(18)16(19)10-14/h3-8,10-11H,9,19H2,1-2H3
InChIKeyOBKSHDPELOSRKU-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.47
Rot. Bonds4

About 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 116552334) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID116552334
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C17H18ClNO/c1-11(2)13-5-3-12(4-6-13)9-17(20)14-7-8-15(18)16(19)10-14/h3-8,10-11H,9,19H2,1-2H3
InChIKeyOBKSHDPELOSRKU-UHFFFAOYSA-N
XLogP4.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.47
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

1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
1-(4-amino-3-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 116581887
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82685660
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 115565903
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
CID 94279162
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 116552334) is 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)c2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is OBKSHDPELOSRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11(2)13-5-3-12(4-6-13)9-17(20)14-7-8-15(18)16(19)10-14/h3-8,10-11H,9,19H2,1-2H3.
What are the key properties of 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 287.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116552334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).