3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide

C17H18ClFN2O — CID 109020765

IUPAC3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1cc(Cl)ccc1NCCC(=O)NCc1ccccc1F
InChIInChI=1S/C17H18ClFN2O/c1-12-10-14(18)6-7-16(12)20-9-8-17(22)21-11-13-4-2-3-5-15(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyFNUAGTORPFOVON-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.91
Rot. Bonds6

About 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 109020765) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID109020765
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1cc(Cl)ccc1NCCC(=O)NCc1ccccc1F
InChIInChI=1S/C17H18ClFN2O/c1-12-10-14(18)6-7-16(12)20-9-8-17(22)21-11-13-4-2-3-5-15(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyFNUAGTORPFOVON-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 4795998
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265
N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109020837
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 109020765) is 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide is Cc1cc(Cl)ccc1NCCC(=O)NCc1ccccc1F.
What is the InChIKey of 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is FNUAGTORPFOVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-12-10-14(18)6-7-16(12)20-9-8-17(22)21-11-13-4-2-3-5-15(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109020765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).