2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide

C16H15F2N3O2 — CID 42663674

IUPAC2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H15F2N3O2/c1-10-3-2-4-11(7-10)20-15(22)9-19-16(23)21-12-5-6-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyOMBCOXRRQMKJBB-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide

2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide (PubChem CID 42663674) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
PubChem CID42663674
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H15F2N3O2/c1-10-3-2-4-11(7-10)20-15(22)9-19-16(23)21-12-5-6-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyOMBCOXRRQMKJBB-UHFFFAOYSA-N
XLogP3.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide 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-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide (CID 42663674) is 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is OMBCOXRRQMKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-10-3-2-4-11(7-10)20-15(22)9-19-16(23)21-12-5-6-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide?
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 319.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 42663674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).