N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide

C18H20Cl2N2O4 — CID 47005825

IUPACN-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC
InChIInChI=1S/C18H20Cl2N2O4/c1-10(18(23)22-13-7-5-6-12(19)16(13)20)21-11-8-14(24-2)17(26-4)15(9-11)25-3/h5-10,21H,1-4H3,(H,22,23)
InChIKeyJRABHHDDNPSAOE-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.46
Rot. Bonds7

About N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide

N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 47005825) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
PubChem CID47005825
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC NameN-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC
InChIInChI=1S/C18H20Cl2N2O4/c1-10(18(23)22-13-7-5-6-12(19)16(13)20)21-11-8-14(24-2)17(26-4)15(9-11)25-3/h5-10,21H,1-4H3,(H,22,23)
InChIKeyJRABHHDDNPSAOE-UHFFFAOYSA-N
XLogP4.46
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 42963207
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
CID 1296628
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide (CID 47005825) is N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NC(C)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is JRABHHDDNPSAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c1-10(18(23)22-13-7-5-6-12(19)16(13)20)21-11-8-14(24-2)17(26-4)15(9-11)25-3/h5-10,21H,1-4H3,(H,22,23).
What are the key properties of N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 399.27 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 47005825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).