(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one

C18H20ClNO — CID 73442196

IUPAC(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one
SMILESCCC(=O)[C@H](C)C(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-3-17(21)13(2)18(14-9-11-15(19)12-10-14)20-16-7-5-4-6-8-16/h4-13,18,20H,3H2,1-2H3/t13-,18?/m0/s1
InChIKeyZIGZJDYQCOPANS-FVRDMJKUSA-N
MW301.82 g/mol
LogP5.11
Rot. Bonds6

About (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one

(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one (PubChem CID 73442196) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one.

Molecular Properties

Compound Name(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one
PubChem CID73442196
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one
SMILESCCC(=O)[C@H](C)C(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-3-17(21)13(2)18(14-9-11-15(19)12-10-14)20-16-7-5-4-6-8-16/h4-13,18,20H,3H2,1-2H3/t13-,18?/m0/s1
InChIKeyZIGZJDYQCOPANS-FVRDMJKUSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-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

1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
(1S,2R)-1-(4-chloroanilino)-2-methyl-1-(4-nitrophenyl)pentan-3-one
CID 102187553
(3R,4R)-4-anilino-1-tert-butylsulfinyl-4-(4-chlorophenyl)-3-methylbutan-2-one
CID 102167728
tert-butyl (2R,3S)-3-anilino-3-(4-chlorophenyl)-2-methylpropanoate
CID 101435643
diethyl 2-[anilino-(4-chlorophenyl)methyl]butanedioate
CID 16753203
3-amino-4-anilino-4-(4-chlorophenyl)butan-2-one;hydrochloride
CID 70257960
S-ethyl 3-anilino-2-methyl-3-phenylpropanethioate
CID 10661895
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
dimethyl 2-[(R)-(4-chloroanilino)-phenylmethyl]propanedioate
CID 804005
ethyl (2S)-3-(4-chlorophenyl)-3-(2-hydroxyanilino)-2-methylpropanoate
CID 11359547
(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177

Frequently Asked Questions

What is the IUPAC name of (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one?
The IUPAC name of (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one (CID 73442196) is (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one.
What is the SMILES notation for (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one?
The canonical SMILES for (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one is CCC(=O)[C@H](C)C(Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one?
The InChIKey is ZIGZJDYQCOPANS-FVRDMJKUSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-3-17(21)13(2)18(14-9-11-15(19)12-10-14)20-16-7-5-4-6-8-16/h4-13,18,20H,3H2,1-2H3/t13-,18?/m0/s1.
What are the key properties of (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one?
(2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one has a molecular weight of 301.82 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-anilino-1-(4-chlorophenyl)-2-methylpentan-3-one is sourced from PubChem (CID 73442196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).