N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide

C19H17BrN2O — CID 166317885

IUPACN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCC2(Cc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C19H17BrN2O/c20-17-6-2-3-14(10-17)11-19(7-8-19)13-22-18(23)16-5-1-4-15(9-16)12-21/h1-6,9-10H,7-8,11,13H2,(H,22,23)
InChIKeyRRFGJIZXOVFOLK-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.07
Rot. Bonds5

About N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide

N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide (PubChem CID 166317885) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
PubChem CID166317885
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCC2(Cc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C19H17BrN2O/c20-17-6-2-3-14(10-17)11-19(7-8-19)13-22-18(23)16-5-1-4-15(9-16)12-21/h1-6,9-10H,7-8,11,13H2,(H,22,23)
InChIKeyRRFGJIZXOVFOLK-UHFFFAOYSA-N
XLogP4.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
CID 167965461
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide
CID 51107951
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7831409
(4-cyanophenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 31177127
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide (CID 166317885) is N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)NCC2(Cc3cccc(Br)c3)CC2)c1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide?
The InChIKey is RRFGJIZXOVFOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-17-6-2-3-14(10-17)11-19(7-8-19)13-22-18(23)16-5-1-4-15(9-16)12-21/h1-6,9-10H,7-8,11,13H2,(H,22,23).
What are the key properties of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide?
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide has a molecular weight of 369.26 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide is sourced from PubChem (CID 166317885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).