N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide

C17H18F2N2O — CID 110795396

IUPACN-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O/c1-21(2)14-6-4-13(5-7-14)17(22)20-10-9-12-3-8-15(18)16(19)11-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyKXINJVMPVDCMMX-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide

N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide (PubChem CID 110795396) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
PubChem CID110795396
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O/c1-21(2)14-6-4-13(5-7-14)17(22)20-10-9-12-3-8-15(18)16(19)11-12/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyKXINJVMPVDCMMX-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
4-(dimethylamino)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110795466
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 103706462
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110795832
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
2-(aminomethyl)-N-[2-(3,4-difluorophenyl)ethyl]butanamide
CID 115187053

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide (CID 110795396) is N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide?
The InChIKey is KXINJVMPVDCMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-21(2)14-6-4-13(5-7-14)17(22)20-10-9-12-3-8-15(18)16(19)11-12/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide?
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide has a molecular weight of 304.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 110795396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).