(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one

C22H19BrClNO — CID 66666343

IUPAC(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
SMILESCc1cc(C(=O)C[C@H](c2ccc(Br)cc2)c2ccc(Cl)cc2C)ccn1
InChIInChI=1S/C22H19BrClNO/c1-14-11-19(24)7-8-20(14)21(16-3-5-18(23)6-4-16)13-22(26)17-9-10-25-15(2)12-17/h3-12,21H,13H2,1-2H3/t21-/m1/s1
InChIKeyZFZIYDYLWAQRAV-OAQYLSRUSA-N
MW428.76 g/mol
LogP6.52
Rot. Bonds5

About (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one

(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one (PubChem CID 66666343) has the molecular formula C22H19BrClNO and a molecular weight of 428.76 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
PubChem CID66666343
Molecular FormulaC22H19BrClNO
Molecular Weight428.76 g/mol
Exact Mass427.03
IUPAC Name(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
SMILESCc1cc(C(=O)C[C@H](c2ccc(Br)cc2)c2ccc(Cl)cc2C)ccn1
InChIInChI=1S/C22H19BrClNO/c1-14-11-19(24)7-8-20(14)21(16-3-5-18(23)6-4-16)13-22(26)17-9-10-25-15(2)12-17/h3-12,21H,13H2,1-2H3/t21-/m1/s1
InChIKeyZFZIYDYLWAQRAV-OAQYLSRUSA-N
XLogP6.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-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

3-(4-bromophenyl)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66666708
ethyl 1-[4-[(1R)-1-(4-chloro-2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]piperidine-4-carboxylate
CID 66667412
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
CID 67015695
2-[4-[1-(4-chloro-2-methylphenyl)-3-hydroxyimino-3-(2-methyl-4-pyridinyl)propyl]phenyl]acetic acid
CID 173006428
3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(1-methyl-2H-pyridin-5-yl)propan-1-one
CID 141325095
3-[4-(3-hydroxyprop-1-ynyl)phenyl]-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66668722
3-(2,4-difluorophenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 66666448
(E)-3-[4-[1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)-3-oxopropyl]phenyl]prop-2-enoic acid
CID 67015514
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 90339531
(3R)-3-[4-[(3-chloro-2-methoxypropyl)amino]phenyl]-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 90339525
N-[(3R)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]propylidene]hydroxylamine
CID 154041518
4-[4-[(1R)-1-(4-chloro-2-methylphenyl)-3-hydroxyimino-3-(2-methyl-4-pyridinyl)propyl]phenyl]piperidine-1-sulfonamide
CID 154041522

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one?
The IUPAC name of (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one (CID 66666343) is (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one?
The canonical SMILES for (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one is Cc1cc(C(=O)C[C@H](c2ccc(Br)cc2)c2ccc(Cl)cc2C)ccn1.
What is the InChIKey of (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one?
The InChIKey is ZFZIYDYLWAQRAV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19BrClNO/c1-14-11-19(24)7-8-20(14)21(16-3-5-18(23)6-4-16)13-22(26)17-9-10-25-15(2)12-17/h3-12,21H,13H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one?
(3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one has a molecular weight of 428.76 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)-3-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)propan-1-one is sourced from PubChem (CID 66666343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).