N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C17H19Cl2N3O2 — CID 135925527

IUPACN-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C17H19Cl2N3O2/c1-9(12-4-6-14(18)15(19)8-12)21-16(23)7-5-13-10(2)20-11(3)22-17(13)24/h4,6,8-9H,5,7H2,1-3H3,(H,21,23)(H,20,22,24)/t9-/m1/s1
InChIKeyZGSQNQUZSDOYBB-SECBINFHSA-N
MW368.26 g/mol
LogP3.50
Rot. Bonds5

About N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135925527) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135925527
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC NameN-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C17H19Cl2N3O2/c1-9(12-4-6-14(18)15(19)8-12)21-16(23)7-5-13-10(2)20-11(3)22-17(13)24/h4,6,8-9H,5,7H2,1-3H3,(H,21,23)(H,20,22,24)/t9-/m1/s1
InChIKeyZGSQNQUZSDOYBB-SECBINFHSA-N
XLogP3.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135925527) is N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is ZGSQNQUZSDOYBB-SECBINFHSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-9(12-4-6-14(18)15(19)8-12)21-16(23)7-5-13-10(2)20-11(3)22-17(13)24/h4,6,8-9H,5,7H2,1-3H3,(H,21,23)(H,20,22,24)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 368.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135925527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).