1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid

C23H20ClNO4 — CID 58370148

IUPAC1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO4/c24-17-9-6-15(7-10-17)14-29-20-18-5-2-1-4-16(18)8-11-19(20)21(26)25-23(22(27)28)12-3-13-23/h1-2,4-11H,3,12-14H2,(H,25,26)(H,27,28)
InChIKeyBTKTZWFMRZLUAZ-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.81
Rot. Bonds6

About 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 58370148) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID58370148
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO4/c24-17-9-6-15(7-10-17)14-29-20-18-5-2-1-4-16(18)8-11-19(20)21(26)25-23(22(27)28)12-3-13-23/h1-2,4-11H,3,12-14H2,(H,25,26)(H,27,28)
InChIKeyBTKTZWFMRZLUAZ-UHFFFAOYSA-N
XLogP4.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 58370152
1-[[1-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 69343981
1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 24769330
1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370323
1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132798
1-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 24769442
1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370300
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
CID 174532360
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 58370148) is 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is BTKTZWFMRZLUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c24-17-9-6-15(7-10-17)14-29-20-18-5-2-1-4-16(18)8-11-19(20)21(26)25-23(22(27)28)12-3-13-23/h1-2,4-11H,3,12-14H2,(H,25,26)(H,27,28).
What are the key properties of 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 409.87 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58370148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).