N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C20H21F2N3O3 — CID 55897431

IUPACN-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H21F2N3O3/c1-12-6-9-14(24-19(27)13-7-8-13)10-16(12)23-11-18(26)25-15-4-2-3-5-17(15)28-20(21)22/h2-6,9-10,13,20,23H,7-8,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyHZSJVZUHWYMFDP-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.00
Rot. Bonds8

About N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55897431) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55897431
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H21F2N3O3/c1-12-6-9-14(24-19(27)13-7-8-13)10-16(12)23-11-18(26)25-15-4-2-3-5-17(15)28-20(21)22/h2-6,9-10,13,20,23H,7-8,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyHZSJVZUHWYMFDP-UHFFFAOYSA-N
XLogP4.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide 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-[4-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 25344351
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924
N-[3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897560
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55897431) is N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is HZSJVZUHWYMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-12-6-9-14(24-19(27)13-7-8-13)10-16(12)23-11-18(26)25-15-4-2-3-5-17(15)28-20(21)22/h2-6,9-10,13,20,23H,7-8,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 389.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55897431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).