N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide

C20H20Cl2N2O3 — CID 38324971

IUPACN-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20Cl2N2O3/c21-14-8-9-18(17(22)11-14)27-10-2-5-19(25)23-15-3-1-4-16(12-15)24-20(26)13-6-7-13/h1,3-4,8-9,11-13H,2,5-7,10H2,(H,23,25)(H,24,26)
InChIKeyGYTBDAUXPVXESJ-UHFFFAOYSA-N
MW407.30 g/mol
LogP5.14
Rot. Bonds8

About N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide

N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 38324971) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID38324971
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC NameN-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20Cl2N2O3/c21-14-8-9-18(17(22)11-14)27-10-2-5-19(25)23-15-3-1-4-16(12-15)24-20(26)13-6-7-13/h1,3-4,8-9,11-13H,2,5-7,10H2,(H,23,25)(H,24,26)
InChIKeyGYTBDAUXPVXESJ-UHFFFAOYSA-N
XLogP5.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161184
1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
CID 55343438
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide (CID 38324971) is N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is GYTBDAUXPVXESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c21-14-8-9-18(17(22)11-14)27-10-2-5-19(25)23-15-3-1-4-16(12-15)24-20(26)13-6-7-13/h1,3-4,8-9,11-13H,2,5-7,10H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide?
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 407.30 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 38324971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).