2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide

C17H18FN3O2 — CID 49285531

IUPAC2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
SMILESCNC(=O)c1cc(NC(=O)NC(C)c2ccccc2)ccc1F
InChIInChI=1S/C17H18FN3O2/c1-11(12-6-4-3-5-7-12)20-17(23)21-13-8-9-15(18)14(10-13)16(22)19-2/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyYXRZQNXFQWXOGH-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.07
Rot. Bonds4

About 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide

2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide (PubChem CID 49285531) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
PubChem CID49285531
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
SMILESCNC(=O)c1cc(NC(=O)NC(C)c2ccccc2)ccc1F
InChIInChI=1S/C17H18FN3O2/c1-11(12-6-4-3-5-7-12)20-17(23)21-13-8-9-15(18)14(10-13)16(22)19-2/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyYXRZQNXFQWXOGH-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 95905887
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
CID 100616994
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide (CID 49285531) is 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide is CNC(=O)c1cc(NC(=O)NC(C)c2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide?
The InChIKey is YXRZQNXFQWXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11(12-6-4-3-5-7-12)20-17(23)21-13-8-9-15(18)14(10-13)16(22)19-2/h3-11H,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide?
2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide has a molecular weight of 315.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide is sourced from PubChem (CID 49285531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).