N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide

C16H16ClFN2O — CID 63501108

IUPACN-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-10-19-15-13(4-3-5-14(15)18)16(21)20-12-8-6-11(17)7-9-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyPWKNIBQRLMINBV-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.55
Rot. Bonds5

About N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide

N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide (PubChem CID 63501108) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
PubChem CID63501108
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-10-19-15-13(4-3-5-14(15)18)16(21)20-12-8-6-11(17)7-9-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyPWKNIBQRLMINBV-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661409
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
3-fluoro-N-(4-methyl-2-pyridinyl)-2-(propylamino)benzamide
CID 62650730
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
CID 114914162
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide (CID 63501108) is N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide?
The InChIKey is PWKNIBQRLMINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-10-19-15-13(4-3-5-14(15)18)16(21)20-12-8-6-11(17)7-9-12/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide?
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide has a molecular weight of 306.77 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 63501108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).