N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide

C17H17FN2O — CID 43460915

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
SMILESNc1ccccc1CN(C(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C17H17FN2O/c18-15-7-3-2-6-14(15)17(21)20(13-9-10-13)11-12-5-1-4-8-16(12)19/h1-8,13H,9-11,19H2
InChIKeyPETKTXJDHUPQGL-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.21
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide

N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide (PubChem CID 43460915) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
PubChem CID43460915
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
SMILESNc1ccccc1CN(C(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C17H17FN2O/c18-15-7-3-2-6-14(15)17(21)20(13-9-10-13)11-12-5-1-4-8-16(12)19/h1-8,13H,9-11,19H2
InChIKeyPETKTXJDHUPQGL-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide
CID 81499537
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(naphthalen-1-ylmethyl)benzamide
CID 40851294
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide (CID 43460915) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide is Nc1ccccc1CN(C(=O)c1ccccc1F)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide?
The InChIKey is PETKTXJDHUPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-7-3-2-6-14(15)17(21)20(13-9-10-13)11-12-5-1-4-8-16(12)19/h1-8,13H,9-11,19H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 43460915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).