N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide

C25H23ClN2O2 — CID 55898897

IUPACN-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)C3CC3c3ccccc3Cl)c2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-16-9-11-18(12-10-16)24(29)28-19-6-4-5-17(13-19)15-27-25(30)22-14-21(22)20-7-2-3-8-23(20)26/h2-13,21-22H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeySLHFXONZYJRYKH-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.32
Rot. Bonds6

About N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide

N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide (PubChem CID 55898897) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
PubChem CID55898897
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC NameN-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)C3CC3c3ccccc3Cl)c2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-16-9-11-18(12-10-16)24(29)28-19-6-4-5-17(13-19)15-27-25(30)22-14-21(22)20-7-2-3-8-23(20)26/h2-13,21-22H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeySLHFXONZYJRYKH-UHFFFAOYSA-N
XLogP5.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide with MolForge

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
CID 167909819
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
(2S,5R)-5-(aminomethyl)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 120789000
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide (CID 55898897) is N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CNC(=O)C3CC3c3ccccc3Cl)c2)cc1.
What is the InChIKey of N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is SLHFXONZYJRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-16-9-11-18(12-10-16)24(29)28-19-6-4-5-17(13-19)15-27-25(30)22-14-21(22)20-7-2-3-8-23(20)26/h2-13,21-22H,14-15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide?
N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 418.92 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 55898897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).