N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide

C18H15Cl2FN2O2 — CID 113093168

IUPACN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C18H15Cl2FN2O2/c1-10(24)23(13-4-5-13)17-7-3-12(21)9-16(17)22-18(25)11-2-6-14(19)15(20)8-11/h2-3,6-9,13H,4-5H2,1H3,(H,22,25)
InChIKeyHWEXTUXYERBYPC-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.90
Rot. Bonds4

About N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide (PubChem CID 113093168) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
PubChem CID113093168
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC NameN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C18H15Cl2FN2O2/c1-10(24)23(13-4-5-13)17-7-3-12(21)9-16(17)22-18(25)11-2-6-14(19)15(20)8-11/h2-3,6-9,13H,4-5H2,1H3,(H,22,25)
InChIKeyHWEXTUXYERBYPC-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide
CID 113093183
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-cyclopropyl-N-[4-fluoro-2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 113093216
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-(3-methylphenyl)acetamide
CID 113093198
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide
CID 113092818
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide (CID 113093168) is N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide is CC(=O)N(c1ccc(F)cc1NC(=O)c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide?
The InChIKey is HWEXTUXYERBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c1-10(24)23(13-4-5-13)17-7-3-12(21)9-16(17)22-18(25)11-2-6-14(19)15(20)8-11/h2-3,6-9,13H,4-5H2,1H3,(H,22,25).
What are the key properties of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide?
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide has a molecular weight of 381.23 g/mol, XLogP of 4.90, 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]-3,4-dichlorobenzamide is sourced from PubChem (CID 113093168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).