(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide

C19H20F2N2O2 — CID 122648496

IUPAC(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(N(C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)C2CC2)cc1
InChIInChI=1S/C19H20F2N2O2/c1-25-17-6-4-16(5-7-17)23(15-2-3-15)19(24)18(22)10-12-8-13(20)11-14(21)9-12/h4-9,11,15,18H,2-3,10,22H2,1H3/t18-/m0/s1
InChIKeyQCCYNADXOVOOJY-SFHVURJKSA-N
MW346.38 g/mol
LogP3.04
Rot. Bonds6

About (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide

(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 122648496) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide
PubChem CID122648496
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(N(C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)C2CC2)cc1
InChIInChI=1S/C19H20F2N2O2/c1-25-17-6-4-16(5-7-17)23(15-2-3-15)19(24)18(22)10-12-8-13(20)11-14(21)9-12/h4-9,11,15,18H,2-3,10,22H2,1H3/t18-/m0/s1
InChIKeyQCCYNADXOVOOJY-SFHVURJKSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(2S)-1-(N-cyclopropyl-4-methoxyanilino)-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate;sulfane
CID 159426064
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
(2S)-2-amino-3-(3,5-difluorophenyl)-N-(4-ethylphenyl)-N-methylpropanamide;sulfane
CID 161382530
methyl N-[4-[[(2S)-2-amino-3-(3,5-difluorophenyl)propanoyl]-ethylamino]phenyl]carbamate
CID 122647383
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175228183
ethyl 3-(N-cyclopropyl-4-methoxyanilino)-3-sulfanylidenepropanoate
CID 10589826
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
(2S)-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 175228171

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide (CID 122648496) is (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(N(C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)C2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is QCCYNADXOVOOJY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-25-17-6-4-16(5-7-17)23(15-2-3-15)19(24)18(22)10-12-8-13(20)11-14(21)9-12/h4-9,11,15,18H,2-3,10,22H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide?
(2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 122648496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).