2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide

C16H16ClFN2O — CID 63110061

IUPAC2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
SMILESCCC(NC(=O)c1ccc(F)cc1N)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-2-15(10-4-3-5-11(17)8-10)20-16(21)13-7-6-12(18)9-14(13)19/h3-9,15H,2,19H2,1H3,(H,20,21)
InChIKeyGZEOSDLZSMPPHW-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.94
Rot. Bonds4

About 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide

2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide (PubChem CID 63110061) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
PubChem CID63110061
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
SMILESCCC(NC(=O)c1ccc(F)cc1N)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-2-15(10-4-3-5-11(17)8-10)20-16(21)13-7-6-12(18)9-14(13)19/h3-9,15H,2,19H2,1H3,(H,20,21)
InChIKeyGZEOSDLZSMPPHW-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide (CID 63110061) is 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide is CCC(NC(=O)c1ccc(F)cc1N)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide?
The InChIKey is GZEOSDLZSMPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-15(10-4-3-5-11(17)8-10)20-16(21)13-7-6-12(18)9-14(13)19/h3-9,15H,2,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide?
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide is sourced from PubChem (CID 63110061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).