N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide

C16H16ClFN2O — CID 114452478

IUPACN-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-16(21)20-15-5-3-14(4-6-15)19-10-11-7-12(17)9-13(18)8-11/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyJKOHFVHWQZAUOX-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.44
Rot. Bonds5

About N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide

N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide (PubChem CID 114452478) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide
PubChem CID114452478
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C16H16ClFN2O/c1-2-16(21)20-15-5-3-14(4-6-15)19-10-11-7-12(17)9-13(18)8-11/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyJKOHFVHWQZAUOX-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033
2-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]benzoic acid
CID 114452545
N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452826
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79419634
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 114452196
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
N-(3,4-difluorophenyl)propanamide
CID 4285365
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452683

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide (CID 114452478) is N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide?
The InChIKey is JKOHFVHWQZAUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-16(21)20-15-5-3-14(4-6-15)19-10-11-7-12(17)9-13(18)8-11/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide?
N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide has a molecular weight of 306.77 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 114452478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).