N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide

C20H20Cl2N2O3 — CID 55783367

IUPACN-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O3/c1-11-3-4-13(20(26)23-15-6-7-15)9-17(11)24-19(25)12(2)27-18-8-5-14(21)10-16(18)22/h3-5,8-10,12,15H,6-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGSRKRONYRQRVJJ-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.60
Rot. Bonds6

About N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide

N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide (PubChem CID 55783367) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
PubChem CID55783367
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC NameN-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O3/c1-11-3-4-13(20(26)23-15-6-7-15)9-17(11)24-19(25)12(2)27-18-8-5-14(21)10-16(18)22/h3-5,8-10,12,15H,6-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGSRKRONYRQRVJJ-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
CID 113389862
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide (CID 55783367) is N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide?
The InChIKey is GSRKRONYRQRVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-11-3-4-13(20(26)23-15-6-7-15)9-17(11)24-19(25)12(2)27-18-8-5-14(21)10-16(18)22/h3-5,8-10,12,15H,6-7H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide?
N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide has a molecular weight of 407.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide is sourced from PubChem (CID 55783367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).