2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

C16H15ClFN3O2 — CID 49276925

IUPAC2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O2/c1-10-8-11(17)2-7-14(10)21-16(23)19-9-15(22)20-13-5-3-12(18)4-6-13/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeySGRKAYUDBYTSJI-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.55
Rot. Bonds4

About 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 49276925) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID49276925
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O2/c1-10-8-11(17)2-7-14(10)21-16(23)19-9-15(22)20-13-5-3-12(18)4-6-13/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeySGRKAYUDBYTSJI-UHFFFAOYSA-N
XLogP3.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
CID 4623605
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 49276925) is 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is SGRKAYUDBYTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-10-8-11(17)2-7-14(10)21-16(23)19-9-15(22)20-13-5-3-12(18)4-6-13/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 335.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 49276925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).