N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide

C23H27ClN4O3 — CID 24574544

IUPACN-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H27ClN4O3/c1-3-28(14-21(29)27-20-12-18(24)10-7-15(20)2)23(31)25-13-16-5-4-6-19(11-16)26-22(30)17-8-9-17/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3,(H,25,31)(H,26,30)(H,27,29)
InChIKeyXDIARDDPPJLPKT-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.17
Rot. Bonds8

About N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24574544) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24574544
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H27ClN4O3/c1-3-28(14-21(29)27-20-12-18(24)10-7-15(20)2)23(31)25-13-16-5-4-6-19(11-16)26-22(30)17-8-9-17/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3,(H,25,31)(H,26,30)(H,27,29)
InChIKeyXDIARDDPPJLPKT-UHFFFAOYSA-N
XLogP4.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24565591
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910250
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 24574544) is N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XDIARDDPPJLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-3-28(14-21(29)27-20-12-18(24)10-7-15(20)2)23(31)25-13-16-5-4-6-19(11-16)26-22(30)17-8-9-17/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3,(H,25,31)(H,26,30)(H,27,29).
What are the key properties of N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 442.95 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).