2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide

C17H15ClFNO — CID 91837557

IUPAC2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
SMILESCc1ccc(F)c(C(=O)NC2(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C17H15ClFNO/c1-11-7-8-13(19)14(15(11)18)16(21)20-17(9-10-17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyLHAIUGVOMADNSC-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide

2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide (PubChem CID 91837557) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
PubChem CID91837557
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
SMILESCc1ccc(F)c(C(=O)NC2(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C17H15ClFNO/c1-11-7-8-13(19)14(15(11)18)16(21)20-17(9-10-17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyLHAIUGVOMADNSC-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
CID 110445807
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide (CID 91837557) is 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide is Cc1ccc(F)c(C(=O)NC2(c3ccccc3)CC2)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is LHAIUGVOMADNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-11-7-8-13(19)14(15(11)18)16(21)20-17(9-10-17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide?
2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 303.76 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 91837557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).