N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide

C16H16ClFN2O — CID 82872419

IUPACN-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-2-8-20(13-5-3-4-12(19)10-13)16(21)11-6-7-15(18)14(17)9-11/h3-7,9-10H,2,8,19H2,1H3
InChIKeyQEYFAMPUEHMZGQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.12
Rot. Bonds4

About N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide

N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide (PubChem CID 82872419) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
PubChem CID82872419
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(F)c(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-2-8-20(13-5-3-4-12(19)10-13)16(21)11-6-7-15(18)14(17)9-11/h3-7,9-10H,2,8,19H2,1H3
InChIKeyQEYFAMPUEHMZGQ-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-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80643965
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide?
The IUPAC name of N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide (CID 82872419) is N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide is CCCN(C(=O)c1ccc(F)c(Cl)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide?
The InChIKey is QEYFAMPUEHMZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-8-20(13-5-3-4-12(19)10-13)16(21)11-6-7-15(18)14(17)9-11/h3-7,9-10H,2,8,19H2,1H3.
What are the key properties of N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide?
N-(3-aminophenyl)-3-chloro-4-fluoro-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 N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 82872419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).