N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide

C20H21ClN2O3 — CID 46761291

IUPACN-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)cccc1NC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-12-16(7-5-8-17(12)23-20(25)14-10-11-14)22-19(24)13(2)26-18-9-4-3-6-15(18)21/h3-9,13-14H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHQARROJHXDPUKT-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.40
Rot. Bonds6

About N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 46761291) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID46761291
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)cccc1NC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-12-16(7-5-8-17(12)23-20(25)14-10-11-14)22-19(24)13(2)26-18-9-4-3-6-15(18)21/h3-9,13-14H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHQARROJHXDPUKT-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46761316
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
CID 46761350
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide (CID 46761291) is N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide is Cc1c(NC(=O)C2CC2)cccc1NC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is HQARROJHXDPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-16(7-5-8-17(12)23-20(25)14-10-11-14)22-19(24)13(2)26-18-9-4-3-6-15(18)21/h3-9,13-14H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46761291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).