(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide

C18H20ClFN2O — CID 11616967

IUPAC(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
SMILESCC(NC(=O)C[C@H](N)Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O/c1-12(13-6-8-15(19)9-7-13)22-18(23)11-16(21)10-14-4-2-3-5-17(14)20/h2-9,12,16H,10-11,21H2,1H3,(H,22,23)/t12?,16-/m1/s1
InChIKeyVDLMVMWEWXYRKN-PVQCJRHBSA-N
MW334.82 g/mol
LogP3.62
Rot. Bonds6

About (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide (PubChem CID 11616967) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
PubChem CID11616967
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
SMILESCC(NC(=O)C[C@H](N)Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O/c1-12(13-6-8-15(19)9-7-13)22-18(23)11-16(21)10-14-4-2-3-5-17(14)20/h2-9,12,16H,10-11,21H2,1H3,(H,22,23)/t12?,16-/m1/s1
InChIKeyVDLMVMWEWXYRKN-PVQCJRHBSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)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-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
(3R)-3-amino-4-(2-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]butanamide
CID 11522773
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
(3R)-3-amino-4-(2-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11233630
2-(2-fluorophenyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7936631
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide (CID 11616967) is (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide is CC(NC(=O)C[C@H](N)Cc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide?
The InChIKey is VDLMVMWEWXYRKN-PVQCJRHBSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-12(13-6-8-15(19)9-7-13)22-18(23)11-16(21)10-14-4-2-3-5-17(14)20/h2-9,12,16H,10-11,21H2,1H3,(H,22,23)/t12?,16-/m1/s1.
What are the key properties of (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide has a molecular weight of 334.82 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 11616967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).