(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide

C18H21FN2O2 — CID 129379570

IUPAC(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-12-9-14(7-8-17(12)19)11-20-15-5-4-6-16(10-15)21-18(22)13(2)23-3/h4-10,13,20H,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyIKMGWUCORYRWTH-ZDUSSCGKSA-N
MW316.38 g/mol
LogP3.72
Rot. Bonds6

About (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide

(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide (PubChem CID 129379570) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
PubChem CID129379570
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-12-9-14(7-8-17(12)19)11-20-15-5-4-6-16(10-15)21-18(22)13(2)23-3/h4-10,13,20H,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyIKMGWUCORYRWTH-ZDUSSCGKSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
CID 126803969
ethyl 3-[(4-fluoro-3-methylphenyl)methylamino]benzoate
CID 62121438
(2S)-2-methoxy-N-[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]propanamide
CID 129369597
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
CID 104749408
(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
CID 129380466
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 19644382
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide?
The IUPAC name of (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide (CID 129379570) is (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide.
What is the SMILES notation for (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide?
The canonical SMILES for (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide is CO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(F)c(C)c2)c1.
What is the InChIKey of (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide?
The InChIKey is IKMGWUCORYRWTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-9-14(7-8-17(12)19)11-20-15-5-4-6-16(10-15)21-18(22)13(2)23-3/h4-10,13,20H,11H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide?
(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide has a molecular weight of 316.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide is sourced from PubChem (CID 129379570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).