ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate

C19H22FN3O3 — CID 134096042

IUPACethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(NC(=O)C(C)C)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-4-26-19(25)23-17-11-15(22-18(24)12(2)3)9-10-16(17)21-14-7-5-13(20)6-8-14/h5-12,21H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJEKUXJJZSQWQX-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.73
Rot. Bonds6

About ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate

ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate (PubChem CID 134096042) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate
PubChem CID134096042
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Nameethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(NC(=O)C(C)C)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-4-26-19(25)23-17-11-15(22-18(24)12(2)3)9-10-16(17)21-14-7-5-13(20)6-8-14/h5-12,21H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJEKUXJJZSQWQX-UHFFFAOYSA-N
XLogP4.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
CID 110178963
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ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
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ethyl N-(2-anilinophenyl)carbamate
CID 12930175
ethyl 4-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112989351
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
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ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide
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ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
ethyl N-[2-(6-aminohexanoylamino)-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
CID 167224940
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
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ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate (CID 134096042) is ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate is CCOC(=O)Nc1cc(NC(=O)C(C)C)ccc1Nc1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate?
The InChIKey is AJEKUXJJZSQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-4-26-19(25)23-17-11-15(22-18(24)12(2)3)9-10-16(17)21-14-7-5-13(20)6-8-14/h5-12,21H,4H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate?
ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate has a molecular weight of 359.40 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-fluoroanilino)-5-(2-methylpropanoylamino)phenyl]carbamate is sourced from PubChem (CID 134096042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).