N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide

C15H14ClFN2O2 — CID 71968012

IUPACN-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1cccc(NCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-5-4-10(6-14(13)17)8-18-11-2-1-3-12(7-11)19-15(21)9-20/h1-7,18,20H,8-9H2,(H,19,21)
InChIKeyOCHTXECMENFSQQ-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.02
Rot. Bonds5

About N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide

N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide (PubChem CID 71968012) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide
PubChem CID71968012
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1cccc(NCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-5-4-10(6-14(13)17)8-18-11-2-1-3-12(7-11)19-15(21)9-20/h1-7,18,20H,8-9H2,(H,19,21)
InChIKeyOCHTXECMENFSQQ-UHFFFAOYSA-N
XLogP3.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-chlorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968013
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705
N-[(4-chloro-3-fluorophenyl)methyl]-3-(3-chloropropyl)aniline
CID 107887554
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,2-diol
CID 43721424
N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide
CID 107025056

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide (CID 71968012) is N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide is O=C(CO)Nc1cccc(NCc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide?
The InChIKey is OCHTXECMENFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-5-4-10(6-14(13)17)8-18-11-2-1-3-12(7-11)19-15(21)9-20/h1-7,18,20H,8-9H2,(H,19,21).
What are the key properties of N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide?
N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide has a molecular weight of 308.74 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloro-3-fluorophenyl)methylamino]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 71968012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).