5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide

C11H14ClF2N3O2 — CID 107484005

IUPAC5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1N(CCO)CC(F)F
InChIInChI=1S/C11H14ClF2N3O2/c12-8-4-6(15)3-7(11(16)19)10(8)17(1-2-18)5-9(13)14/h3-4,9,18H,1-2,5,15H2,(H2,16,19)
InChIKeyRCMLOTKLCKQSHB-UHFFFAOYSA-N
MW293.70 g/mol
LogP1.08
Rot. Bonds6

About 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide

5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide (PubChem CID 107484005) has the molecular formula C11H14ClF2N3O2 and a molecular weight of 293.70 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide
PubChem CID107484005
Molecular FormulaC11H14ClF2N3O2
Molecular Weight293.70 g/mol
Exact Mass293.07
IUPAC Name5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1N(CCO)CC(F)F
InChIInChI=1S/C11H14ClF2N3O2/c12-8-4-6(15)3-7(11(16)19)10(8)17(1-2-18)5-9(13)14/h3-4,9,18H,1-2,5,15H2,(H2,16,19)
InChIKeyRCMLOTKLCKQSHB-UHFFFAOYSA-N
XLogP1.08
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzamide, 5-chloro-2-((2-hydroxyethyl)amino)-
CID 58900
2-Amino-4-fluoro-5-[2-hydroxyethyl(methyl)amino]benzamide
CID 61989240
8-chloro-2-(1-fluorocyclobutyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one
CID 136987954
8-chloro-2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one
CID 136993064
2-[bis(2-hydroxyethyl)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide
CID 140305818
3-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904793
3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61115392
5-amino-2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61115579
2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61116525
2-amino-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61116714
2-Amino-5-[bis(2-hydroxyethyl)amino]-4-fluorobenzamide
CID 61989248
2-Amino-5-[(3-chlorophenyl)methyl-methylamino]-4-fluorobenzamide
CID 61989629

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide (CID 107484005) is 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide is NC(=O)c1cc(N)cc(Cl)c1N(CCO)CC(F)F.
What is the InChIKey of 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide?
The InChIKey is RCMLOTKLCKQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O2/c12-8-4-6(15)3-7(11(16)19)10(8)17(1-2-18)5-9(13)14/h3-4,9,18H,1-2,5,15H2,(H2,16,19).
What are the key properties of 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide?
5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide has a molecular weight of 293.70 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]benzamide is sourced from PubChem (CID 107484005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).