2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide

C17H14BrClFNO — CID 78891040

IUPAC2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C17H14BrClFNO/c18-15-6-3-12(19)9-14(15)16(22)21-10-17(7-8-17)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyPNEMKBLQRKBISP-UHFFFAOYSA-N
MW382.66 g/mol
LogP4.70
Rot. Bonds4

About 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide

2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide (PubChem CID 78891040) has the molecular formula C17H14BrClFNO and a molecular weight of 382.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
PubChem CID78891040
Molecular FormulaC17H14BrClFNO
Molecular Weight382.66 g/mol
Exact Mass380.99
IUPAC Name2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C17H14BrClFNO/c18-15-6-3-12(19)9-14(15)16(22)21-10-17(7-8-17)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyPNEMKBLQRKBISP-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.66
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 42266014
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
CID 60555860
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
CID 60555753
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide (CID 78891040) is 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide is O=C(NCC1(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
The InChIKey is PNEMKBLQRKBISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClFNO/c18-15-6-3-12(19)9-14(15)16(22)21-10-17(7-8-17)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,22).
What are the key properties of 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide has a molecular weight of 382.66 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 78891040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).