N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide

C25H22ClN3O — CID 118305141

IUPACN-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
SMILESN#Cc1ccc(Cl)c(CNC2CC2c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C25H22ClN3O/c26-23-11-6-18(14-27)12-21(23)16-28-24-13-22(24)19-7-9-20(10-8-19)25(30)29-15-17-4-2-1-3-5-17/h1-12,22,24,28H,13,15-16H2,(H,29,30)
InChIKeyLAUMTKMTYINMRC-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.79
Rot. Bonds7

About N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide

N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide (PubChem CID 118305141) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
PubChem CID118305141
Molecular FormulaC25H22ClN3O
Molecular Weight415.92 g/mol
Exact Mass415.15
IUPAC NameN-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
SMILESN#Cc1ccc(Cl)c(CNC2CC2c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C25H22ClN3O/c26-23-11-6-18(14-27)12-21(23)16-28-24-13-22(24)19-7-9-20(10-8-19)25(30)29-15-17-4-2-1-3-5-17/h1-12,22,24,28H,13,15-16H2,(H,29,30)
InChIKeyLAUMTKMTYINMRC-UHFFFAOYSA-N
XLogP4.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304064
N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
CID 118304730
N-benzyl-4-[2-[(2-methylphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118305002
4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 174858317
N-benzyl-4-[(1S,2R)-2-[(2-fluoro-5-methoxyphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118304923
3-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]benzonitrile
CID 114480146
4-cyano-N-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclobutyl]benzamide
CID 155265790
4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide
CID 174857995
N-benzyl-4-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methylamino]cyclopropyl]benzamide
CID 118304504
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide?
The IUPAC name of N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide (CID 118305141) is N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide.
What is the SMILES notation for N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide?
The canonical SMILES for N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide is N#Cc1ccc(Cl)c(CNC2CC2c2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide?
The InChIKey is LAUMTKMTYINMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O/c26-23-11-6-18(14-27)12-21(23)16-28-24-13-22(24)19-7-9-20(10-8-19)25(30)29-15-17-4-2-1-3-5-17/h1-12,22,24,28H,13,15-16H2,(H,29,30).
What are the key properties of N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide?
N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide is sourced from PubChem (CID 118305141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).