(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide

C18H18F2N2O3 — CID 8502651

IUPAC(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H18F2N2O3/c1-12(23)21-16(13-5-3-2-4-6-13)11-17(24)22-14-7-9-15(10-8-14)25-18(19)20/h2-10,16,18H,11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyXCEHZVLVDPBGBU-INIZCTEOSA-N
MW348.35 g/mol
LogP3.49
Rot. Bonds7

About (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide

(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide (PubChem CID 8502651) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
PubChem CID8502651
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H18F2N2O3/c1-12(23)21-16(13-5-3-2-4-6-13)11-17(24)22-14-7-9-15(10-8-14)25-18(19)20/h2-10,16,18H,11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyXCEHZVLVDPBGBU-INIZCTEOSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 95787756
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818457
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 9259796
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide (CID 8502651) is (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is XCEHZVLVDPBGBU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12(23)21-16(13-5-3-2-4-6-13)11-17(24)22-14-7-9-15(10-8-14)25-18(19)20/h2-10,16,18H,11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 348.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 8502651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).