N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide

C19H20FN3O3 — CID 134046139

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H20FN3O3/c20-16-6-2-1-5-14(16)13-22(15-9-10-15)19(24)11-12-21-17-7-3-4-8-18(17)23(25)26/h1-8,15,21H,9-13H2
InChIKeyHTHDYLDWYDUXFU-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.73
Rot. Bonds8

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide (PubChem CID 134046139) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide
PubChem CID134046139
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H20FN3O3/c20-16-6-2-1-5-14(16)13-22(15-9-10-15)19(24)11-12-21-17-7-3-4-8-18(17)23(25)26/h1-8,15,21H,9-13H2
InChIKeyHTHDYLDWYDUXFU-UHFFFAOYSA-N
XLogP3.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.73
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'}

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Related Compounds

N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 46598567
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18133640
N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide
CID 24628021
2-[cyclopropyl-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]amino]acetic acid
CID 119194560
3-[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 60844176
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
4-[[cyclopropyl-[(2-nitrophenyl)methyl]carbamoyl]amino]butanoic acid
CID 122022106

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide (CID 134046139) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide is O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide?
The InChIKey is HTHDYLDWYDUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-16-6-2-1-5-14(16)13-22(15-9-10-15)19(24)11-12-21-17-7-3-4-8-18(17)23(25)26/h1-8,15,21H,9-13H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide has a molecular weight of 357.38 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 134046139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).