(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide

C17H17F2N3O3 — CID 95324364

IUPAC(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
SMILESC[C@H](Nc1ccc(OCc2cccc(F)c2)c(F)c1)C(=O)NC(N)=O
InChIInChI=1S/C17H17F2N3O3/c1-10(16(23)22-17(20)24)21-13-5-6-15(14(19)8-13)25-9-11-3-2-4-12(18)7-11/h2-8,10,21H,9H2,1H3,(H3,20,22,23,24)/t10-/m0/s1
InChIKeyOGZZWTWZQMIUIM-JTQLQIEISA-N
MW349.34 g/mol
LogP2.54
Rot. Bonds6

About (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide

(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide (PubChem CID 95324364) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
PubChem CID95324364
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
SMILESC[C@H](Nc1ccc(OCc2cccc(F)c2)c(F)c1)C(=O)NC(N)=O
InChIInChI=1S/C17H17F2N3O3/c1-10(16(23)22-17(20)24)21-13-5-6-15(14(19)8-13)25-9-11-3-2-4-12(18)7-11/h2-8,10,21H,9H2,1H3,(H3,20,22,23,24)/t10-/m0/s1
InChIKeyOGZZWTWZQMIUIM-JTQLQIEISA-N
XLogP2.54
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 94643107
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975940
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 136583840
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide (CID 95324364) is (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide is C[C@H](Nc1ccc(OCc2cccc(F)c2)c(F)c1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide?
The InChIKey is OGZZWTWZQMIUIM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-10(16(23)22-17(20)24)21-13-5-6-15(14(19)8-13)25-9-11-3-2-4-12(18)7-11/h2-8,10,21H,9H2,1H3,(H3,20,22,23,24)/t10-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide?
(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide has a molecular weight of 349.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide is sourced from PubChem (CID 95324364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).