N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide

C18H17Cl3N2O3 — CID 3252101

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl3N2O3/c1-3-17(24)22-12-5-6-13(20)15(9-12)23-18(25)10(2)26-16-7-4-11(19)8-14(16)21/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZASOAYYAQDAEKX-UHFFFAOYSA-N
MW415.70 g/mol
LogP5.40
Rot. Bonds6

About N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide

N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 3252101) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID3252101
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl3N2O3/c1-3-17(24)22-12-5-6-13(20)15(9-12)23-18(25)10(2)26-16-7-4-11(19)8-14(16)21/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZASOAYYAQDAEKX-UHFFFAOYSA-N
XLogP5.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.70
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48521300
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604763
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide (CID 3252101) is N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is ZASOAYYAQDAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-3-17(24)22-12-5-6-13(20)15(9-12)23-18(25)10(2)26-16-7-4-11(19)8-14(16)21/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 415.70 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 3252101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).