(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide

C19H22Cl2N2O — CID 162721237

IUPAC(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide
SMILESCC[C@H](NC)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O/c1-3-18(22-2)19(24)23-11-10-13-4-6-14(7-5-13)15-8-9-16(20)17(21)12-15/h4-9,12,18,22H,3,10-11H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyCUKWKCARRSCQNU-SFHVURJKSA-N
MW365.30 g/mol
LogP4.32
Rot. Bonds7

About (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide

(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide (PubChem CID 162721237) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide
PubChem CID162721237
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide
SMILESCC[C@H](NC)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O/c1-3-18(22-2)19(24)23-11-10-13-4-6-14(7-5-13)15-8-9-16(20)17(21)12-15/h4-9,12,18,22H,3,10-11H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyCUKWKCARRSCQNU-SFHVURJKSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)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

N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride
CID 164766046
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166625589
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
CID 82541472
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 90163472
(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100596073
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide?
The IUPAC name of (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide (CID 162721237) is (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide?
The canonical SMILES for (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide is CC[C@H](NC)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide?
The InChIKey is CUKWKCARRSCQNU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-3-18(22-2)19(24)23-11-10-13-4-6-14(7-5-13)15-8-9-16(20)17(21)12-15/h4-9,12,18,22H,3,10-11H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide?
(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide has a molecular weight of 365.30 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide is sourced from PubChem (CID 162721237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).