N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide

C17H19Cl3N2O — CID 22082561

IUPACN-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide
SMILESCC(C(C#N)C(=O)NCCc1ccc(Cl)cc1)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C17H19Cl3N2O/c1-11(16(2)10-17(16,19)20)14(9-21)15(23)22-8-7-12-3-5-13(18)6-4-12/h3-6,11,14H,7-8,10H2,1-2H3,(H,22,23)/t11?,14?,16-/m1/s1
InChIKeyRJWHDVUVBKITAF-HFLCMSJXSA-N
MW373.71 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide

N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide (PubChem CID 22082561) has the molecular formula C17H19Cl3N2O and a molecular weight of 373.71 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide
PubChem CID22082561
Molecular FormulaC17H19Cl3N2O
Molecular Weight373.71 g/mol
Exact Mass372.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide
SMILESCC(C(C#N)C(=O)NCCc1ccc(Cl)cc1)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C17H19Cl3N2O/c1-11(16(2)10-17(16,19)20)14(9-21)15(23)22-8-7-12-3-5-13(18)6-4-12/h3-6,11,14H,7-8,10H2,1-2H3,(H,22,23)/t11?,14?,16-/m1/s1
InChIKeyRJWHDVUVBKITAF-HFLCMSJXSA-N
XLogP4.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide 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

(1S)-2,2-dichloro-N-[2-(4-chlorophenyl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 2229042
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-cyclopropyl-3-methylbutanamide
CID 22082563
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971222
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide (CID 22082561) is N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide is CC(C(C#N)C(=O)NCCc1ccc(Cl)cc1)[C@@]1(C)CC1(Cl)Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide?
The InChIKey is RJWHDVUVBKITAF-HFLCMSJXSA-N. The full InChI is InChI=1S/C17H19Cl3N2O/c1-11(16(2)10-17(16,19)20)14(9-21)15(23)22-8-7-12-3-5-13(18)6-4-12/h3-6,11,14H,7-8,10H2,1-2H3,(H,22,23)/t11?,14?,16-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide?
N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide has a molecular weight of 373.71 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-cyano-3-[(1R)-2,2-dichloro-1-methylcyclopropyl]butanamide is sourced from PubChem (CID 22082561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).