(2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide

C17H18F2N2O2 — CID 95043972

IUPAC(2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c1-20-16(22)15(13-5-3-2-4-6-13)21-11-12-7-9-14(10-8-12)23-17(18)19/h2-10,15,17,21H,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyCZKNSSAMBNSCHN-HNNXBMFYSA-N
MW320.34 g/mol
LogP2.86
Rot. Bonds7

About (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide

(2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide (PubChem CID 95043972) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide
PubChem CID95043972
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c1-20-16(22)15(13-5-3-2-4-6-13)21-11-12-7-9-14(10-8-12)23-17(18)19/h2-10,15,17,21H,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyCZKNSSAMBNSCHN-HNNXBMFYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51168376
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide (CID 95043972) is (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide?
The InChIKey is CZKNSSAMBNSCHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-20-16(22)15(13-5-3-2-4-6-13)21-11-12-7-9-14(10-8-12)23-17(18)19/h2-10,15,17,21H,11H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide?
(2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide has a molecular weight of 320.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(difluoromethoxy)phenyl]methylamino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 95043972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).