N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide

C17H18FN3O2 — CID 26439790

IUPACN-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H18FN3O2/c1-12-9-14(18)7-8-15(12)19-11-16(22)21-17(23)20-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyXRSNLDKWYWAEOX-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.57
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide

N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide (PubChem CID 26439790) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
PubChem CID26439790
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H18FN3O2/c1-12-9-14(18)7-8-15(12)19-11-16(22)21-17(23)20-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyXRSNLDKWYWAEOX-UHFFFAOYSA-N
XLogP2.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 55476313
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60587785
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
N-benzyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815218
2-(2,4-difluoroanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 108996706
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide
CID 71849649
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide (CID 26439790) is N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide is Cc1cc(F)ccc1NCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide?
The InChIKey is XRSNLDKWYWAEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12-9-14(18)7-8-15(12)19-11-16(22)21-17(23)20-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide?
N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 26439790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).