N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide

C17H22F2N2O4 — CID 38824177

IUPACN-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1OC(F)F
InChIInChI=1S/C17H22F2N2O4/c1-24-13-7-6-12(10-14(13)25-17(18)19)21-15(22)8-9-20-16(23)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyYWWWTAXWJNDOJA-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.93
Rot. Bonds8

About N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 38824177) has the molecular formula C17H22F2N2O4 and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID38824177
Molecular FormulaC17H22F2N2O4
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC NameN-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1OC(F)F
InChIInChI=1S/C17H22F2N2O4/c1-24-13-7-6-12(10-14(13)25-17(18)19)21-15(22)8-9-20-16(23)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyYWWWTAXWJNDOJA-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55650972
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide (CID 38824177) is N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide is COc1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1OC(F)F.
What is the InChIKey of N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is YWWWTAXWJNDOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O4/c1-24-13-7-6-12(10-14(13)25-17(18)19)21-15(22)8-9-20-16(23)11-4-2-3-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 356.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 38824177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).