4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide

C18H17FN2O2 — CID 150187165

IUPAC4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide
SMILESCc1ccccc1NC(=O)NC(=O)c1ccc(C2CC2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-11-4-2-3-5-16(11)20-18(23)21-17(22)14-9-8-13(10-15(14)19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H2,20,21,22,23)
InChIKeyFMQZXPXMSHSIOS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.97
Rot. Bonds3

About 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide

4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide (PubChem CID 150187165) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide
PubChem CID150187165
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide
SMILESCc1ccccc1NC(=O)NC(=O)c1ccc(C2CC2)cc1F
InChIInChI=1S/C18H17FN2O2/c1-11-4-2-3-5-16(11)20-18(23)21-17(22)14-9-8-13(10-15(14)19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H2,20,21,22,23)
InChIKeyFMQZXPXMSHSIOS-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide?
The IUPAC name of 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide (CID 150187165) is 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide?
The canonical SMILES for 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide is Cc1ccccc1NC(=O)NC(=O)c1ccc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide?
The InChIKey is FMQZXPXMSHSIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-4-2-3-5-16(11)20-18(23)21-17(22)14-9-8-13(10-15(14)19)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide?
4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoro-N-[(2-methylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 150187165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).