N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide

C16H16F2N2O — CID 62648465

IUPACN-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
SMILESNCCCN(C(=O)c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c17-14-9-4-8-13(15(14)18)16(21)20(11-5-10-19)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,19H2
InChIKeyMSTKRQDNRPDYHJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.96
Rot. Bonds5

About N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide

N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide (PubChem CID 62648465) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
PubChem CID62648465
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
SMILESNCCCN(C(=O)c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c17-14-9-4-8-13(15(14)18)16(21)20(11-5-10-19)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,19H2
InChIKeyMSTKRQDNRPDYHJ-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
CID 81445429
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
CID 104668847
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide (CID 62648465) is N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide is NCCCN(C(=O)c1cccc(F)c1F)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide?
The InChIKey is MSTKRQDNRPDYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-9-4-8-13(15(14)18)16(21)20(11-5-10-19)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,19H2.
What are the key properties of N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide?
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide is sourced from PubChem (CID 62648465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).