tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate

C19H22ClNO4 — CID 66701166

IUPACtert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C19H22ClNO4/c1-18(2,3)25-17(24)19(4,5)21-16(23)13-10-14(20)11-8-6-7-9-12(11)15(13)22/h6-10,22H,1-5H3,(H,21,23)
InChIKeyWPVZSFKGVXPSBB-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate

tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate (PubChem CID 66701166) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
PubChem CID66701166
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Nametert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C19H22ClNO4/c1-18(2,3)25-17(24)19(4,5)21-16(23)13-10-14(20)11-8-6-7-9-12(11)15(13)22/h6-10,22H,1-5H3,(H,21,23)
InChIKeyWPVZSFKGVXPSBB-UHFFFAOYSA-N
XLogP4.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide
CID 20826661
2-[[4-chloro-1-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132876
2-[[4-chloro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11648395
tert-butyl N-[2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]ethyl]carbamate
CID 86595472
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate
CID 91734569
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 61121224
tert-butyl 3-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-1-yl]naphthalene-2-carboxylate
CID 100966328

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate (CID 66701166) is tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
The InChIKey is WPVZSFKGVXPSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-18(2,3)25-17(24)19(4,5)21-16(23)13-10-14(20)11-8-6-7-9-12(11)15(13)22/h6-10,22H,1-5H3,(H,21,23).
What are the key properties of tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate has a molecular weight of 363.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 66701166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).