N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide

C16H16FN3O2 — CID 772239

IUPACN-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H16FN3O2/c1-11-4-2-6-13(8-11)20-16(22)18-10-15(21)19-14-7-3-5-12(17)9-14/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyPKKXBXCEISQUTI-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.89
Rot. Bonds4

About N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide

N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 772239) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID772239
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H16FN3O2/c1-11-4-2-6-13(8-11)20-16(22)18-10-15(21)19-14-7-3-5-12(17)9-14/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyPKKXBXCEISQUTI-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 60555754

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 772239) is N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is PKKXBXCEISQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-4-2-6-13(8-11)20-16(22)18-10-15(21)19-14-7-3-5-12(17)9-14/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 772239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).