N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide

C17H18ClFN2O2 — CID 86928510

IUPACN-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
SMILESCOc1cc(F)ccc1NC(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-11(21-15-8-7-13(19)9-16(15)23-2)17(22)20-10-12-5-3-4-6-14(12)18/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeySZBJTXPNDHJAJK-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.60
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide

N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide (PubChem CID 86928510) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
PubChem CID86928510
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
SMILESCOc1cc(F)ccc1NC(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O2/c1-11(21-15-8-7-13(19)9-16(15)23-2)17(22)20-10-12-5-3-4-6-14(12)18/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeySZBJTXPNDHJAJK-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300954
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
N-[(2-chlorophenyl)methyl]-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propanamide
CID 18097398
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883000

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide (CID 86928510) is N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide is COc1cc(F)ccc1NC(C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide?
The InChIKey is SZBJTXPNDHJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-11(21-15-8-7-13(19)9-16(15)23-2)17(22)20-10-12-5-3-4-6-14(12)18/h3-9,11,21H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide?
N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide has a molecular weight of 336.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide is sourced from PubChem (CID 86928510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).