N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide

C19H22FN3O2 — CID 87029073

IUPACN-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H22FN3O2/c1-12(2)19(25)22-14-9-8-13(3)17(10-14)21-11-18(24)23-16-7-5-4-6-15(16)20/h4-10,12,21H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyITJGKJADHQELIE-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.78
Rot. Bonds6

About N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide

N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 87029073) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
PubChem CID87029073
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H22FN3O2/c1-12(2)19(25)22-14-9-8-13(3)17(10-14)21-11-18(24)23-16-7-5-4-6-15(16)20/h4-10,12,21H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyITJGKJADHQELIE-UHFFFAOYSA-N
XLogP3.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 60537469
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 55892711
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55707977
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
CID 112839413

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide (CID 87029073) is N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)Nc1ccccc1F.
What is the InChIKey of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is ITJGKJADHQELIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(2)19(25)22-14-9-8-13(3)17(10-14)21-11-18(24)23-16-7-5-4-6-15(16)20/h4-10,12,21H,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 343.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 87029073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).