N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide

C18H16ClFN2O2 — CID 113093183

IUPACN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C18H16ClFN2O2/c1-11(23)22(13-7-8-13)17-9-6-12(20)10-16(17)21-18(24)14-4-2-3-5-15(14)19/h2-6,9-10,13H,7-8H2,1H3,(H,21,24)
InChIKeyXTMUFKGTMJUZKT-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.25
Rot. Bonds4

About N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide (PubChem CID 113093183) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide
PubChem CID113093183
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C18H16ClFN2O2/c1-11(23)22(13-7-8-13)17-9-6-12(20)10-16(17)21-18(24)14-4-2-3-5-15(14)19/h2-6,9-10,13H,7-8H2,1H3,(H,21,24)
InChIKeyXTMUFKGTMJUZKT-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
CID 113093168
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide
CID 113093162
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-methylpropanamide
CID 113093144
N-cyclopropyl-N-[2-(cyclopropylcarbamoylamino)-4-fluorophenyl]acetamide
CID 113093208
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(4-chlorophenoxy)acetamide
CID 113093181
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
CID 113093198
N-cyclopropyl-N-[4-fluoro-2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 113093216
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
CID 113093265
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
N-(2-chloro-5-fluorophenyl)-2-hydrazinylbenzamide
CID 107531326
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide (CID 113093183) is N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide is CC(=O)N(c1ccc(F)cc1NC(=O)c1ccccc1Cl)C1CC1.
What is the InChIKey of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide?
The InChIKey is XTMUFKGTMJUZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-11(23)22(13-7-8-13)17-9-6-12(20)10-16(17)21-18(24)14-4-2-3-5-15(14)19/h2-6,9-10,13H,7-8H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide?
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide has a molecular weight of 346.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide is sourced from PubChem (CID 113093183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).