4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide

C15H13Cl2FN2O — CID 82812874

IUPAC4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H13Cl2FN2O/c1-8(10-4-2-3-5-13(10)18)20-15(21)9-6-11(16)14(19)12(17)7-9/h2-8H,19H2,1H3,(H,20,21)/t8-/m1/s1
InChIKeyDOPMBXIVSXHGOE-MRVPVSSYSA-N
MW327.19 g/mol
LogP4.21
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide

4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide (PubChem CID 82812874) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
PubChem CID82812874
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H13Cl2FN2O/c1-8(10-4-2-3-5-13(10)18)20-15(21)9-6-11(16)14(19)12(17)7-9/h2-8H,19H2,1H3,(H,20,21)/t8-/m1/s1
InChIKeyDOPMBXIVSXHGOE-MRVPVSSYSA-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-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076562
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61041832

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide (CID 82812874) is 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccc1F.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is DOPMBXIVSXHGOE-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-8(10-4-2-3-5-13(10)18)20-15(21)9-6-11(16)14(19)12(17)7-9/h2-8H,19H2,1H3,(H,20,21)/t8-/m1/s1.
What are the key properties of 4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide?
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide 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-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 82812874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).