2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide

C17H14Cl2FNO — CID 110445812

IUPAC2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14Cl2FNO/c18-12-4-1-3-11(9-12)17(7-8-17)10-21-16(22)15-13(19)5-2-6-14(15)20/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyMHHGDJXXTCPKSZ-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.59
Rot. Bonds4

About 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide

2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide (PubChem CID 110445812) has the molecular formula C17H14Cl2FNO and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
PubChem CID110445812
Molecular FormulaC17H14Cl2FNO
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14Cl2FNO/c18-12-4-1-3-11(9-12)17(7-8-17)10-21-16(22)15-13(19)5-2-6-14(15)20/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyMHHGDJXXTCPKSZ-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]furan-2-carboxamide
CID 110443400
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide (CID 110445812) is 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide is O=C(NCC1(c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide?
The InChIKey is MHHGDJXXTCPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO/c18-12-4-1-3-11(9-12)17(7-8-17)10-21-16(22)15-13(19)5-2-6-14(15)20/h1-6,9H,7-8,10H2,(H,21,22).
What are the key properties of 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide?
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide has a molecular weight of 338.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 110445812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).