4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide

C15H13Cl2FN2O — CID 63188927

IUPAC4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(N)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-8(9-2-4-11(16)12(17)6-9)20-15(21)10-3-5-14(19)13(18)7-10/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFKTOISYPAIXOQF-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.21
Rot. Bonds3

About 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide (PubChem CID 63188927) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
PubChem CID63188927
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(N)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-8(9-2-4-11(16)12(17)6-9)20-15(21)10-3-5-14(19)13(18)7-10/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFKTOISYPAIXOQF-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
4-amino-3-fluoro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360739
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide (CID 63188927) is 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide is CC(NC(=O)c1ccc(N)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide?
The InChIKey is FKTOISYPAIXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-8(9-2-4-11(16)12(17)6-9)20-15(21)10-3-5-14(19)13(18)7-10/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide?
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide has a molecular weight of 327.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 63188927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).