2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide

C19H21FN2O4 — CID 97087035

IUPAC2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CC[C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C19H21FN2O4/c1-13(3-4-14-5-9-17(26-2)10-6-14)21-19(23)11-15-7-8-16(22(24)25)12-18(15)20/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyLZYIIJRGARULBA-ZDUSSCGKSA-N
MW360.39 g/mol
LogP3.42
Rot. Bonds8

About 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide

2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide (PubChem CID 97087035) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide
PubChem CID97087035
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CC[C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C19H21FN2O4/c1-13(3-4-14-5-9-17(26-2)10-6-14)21-19(23)11-15-7-8-16(22(24)25)12-18(15)20/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyLZYIIJRGARULBA-ZDUSSCGKSA-N
XLogP3.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide
CID 164545051
1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
CID 71751093
2-(2-bromo-4-nitrophenyl)-N-(4-methoxybutan-2-yl)acetamide
CID 71972552
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944222
2-[3-(4-methoxyphenyl)propanoylamino]-3-(4-nitrophenyl)propanoic acid
CID 18919518
3-[3-(4-methoxyphenyl)propanoylamino]-3-(4-nitrophenyl)propanoic acid
CID 67673795
(3R)-3-[[2-(4-methoxyphenyl)acetyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 1271486
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide (CID 97087035) is 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide is COc1ccc(CC[C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide?
The InChIKey is LZYIIJRGARULBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(3-4-14-5-9-17(26-2)10-6-14)21-19(23)11-15-7-8-16(22(24)25)12-18(15)20/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide?
2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 97087035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).