5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide

C16H16ClFN2O — CID 122618788

IUPAC5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(N)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-9-20(13-6-3-11(18)4-7-13)16(21)14-10-12(19)5-8-15(14)17/h3-8,10H,2,9,19H2,1H3
InChIKeyVLXDDZKAJNERNB-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.12
Rot. Bonds4

About 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide

5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide (PubChem CID 122618788) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
PubChem CID122618788
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(N)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-9-20(13-6-3-11(18)4-7-13)16(21)14-10-12(19)5-8-15(14)17/h3-8,10H,2,9,19H2,1H3
InChIKeyVLXDDZKAJNERNB-UHFFFAOYSA-N
XLogP4.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.12
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-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide?
The IUPAC name of 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide (CID 122618788) is 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide is CCCN(C(=O)c1cc(N)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide?
The InChIKey is VLXDDZKAJNERNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-9-20(13-6-3-11(18)4-7-13)16(21)14-10-12(19)5-8-15(14)17/h3-8,10H,2,9,19H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide?
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide is sourced from PubChem (CID 122618788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).