4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide

C17H18FN3O2 — CID 17180579

IUPAC4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2/c1-11(2)19-16(22)12-7-9-13(10-8-12)20-17(23)21-15-6-4-3-5-14(15)18/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyWTQZPVYGKSWJCD-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.61
Rot. Bonds4

About 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide

4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide (PubChem CID 17180579) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
PubChem CID17180579
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O2/c1-11(2)19-16(22)12-7-9-13(10-8-12)20-17(23)21-15-6-4-3-5-14(15)18/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyWTQZPVYGKSWJCD-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
CID 17398492
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide
CID 45050282
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide (CID 17180579) is 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The InChIKey is WTQZPVYGKSWJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11(2)19-16(22)12-7-9-13(10-8-12)20-17(23)21-15-6-4-3-5-14(15)18/h3-11H,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide has a molecular weight of 315.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17180579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).