3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide

C19H21FN2O3 — CID 46906450

IUPAC3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-12-21(14-16-4-3-5-18(13-16)22(24)25)19(23)11-8-15-6-9-17(20)10-7-15/h3-7,9-10,13H,2,8,11-12,14H2,1H3
InChIKeyIFNOTXRHMQUEBH-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.11
Rot. Bonds8

About 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide

3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide (PubChem CID 46906450) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide
PubChem CID46906450
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-12-21(14-16-4-3-5-18(13-16)22(24)25)19(23)11-8-15-6-9-17(20)10-7-15/h3-7,9-10,13H,2,8,11-12,14H2,1H3
InChIKeyIFNOTXRHMQUEBH-UHFFFAOYSA-N
XLogP4.11
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylpropanamide
CID 83281923
2-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
3-(4-methoxyphenyl)-N-methyl-N-(3-nitrophenyl)propanamide
CID 75388561
3-amino-N-[(3-nitrophenyl)methyl]-N-prop-2-enylpropanamide
CID 119308763
N-[2-[(4-cyanophenyl)methyl-propylamino]-2-oxoethyl]-3-nitrobenzamide
CID 55594586
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555
N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 46022695
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
[4-[[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110983

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide (CID 46906450) is 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide is CCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide?
The InChIKey is IFNOTXRHMQUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-12-21(14-16-4-3-5-18(13-16)22(24)25)19(23)11-8-15-6-9-17(20)10-7-15/h3-7,9-10,13H,2,8,11-12,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide?
3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide has a molecular weight of 344.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3-nitrophenyl)methyl]-N-propylpropanamide is sourced from PubChem (CID 46906450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).