1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid

C23H20ClNO4 — CID 58370152

IUPAC1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C23H20ClNO4/c24-19-13-18(21(26)25-23(22(27)28)11-6-12-23)20(17-10-5-4-9-16(17)19)29-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,25,26)(H,27,28)
InChIKeyFHQOQGCWZIPQJZ-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.81
Rot. Bonds6

About 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 58370152) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID58370152
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C23H20ClNO4/c24-19-13-18(21(26)25-23(22(27)28)11-6-12-23)20(17-10-5-4-9-16(17)19)29-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,25,26)(H,27,28)
InChIKeyFHQOQGCWZIPQJZ-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

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Related Compounds

1-[[4-chloro-1-[(4-chloro-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370323
1-[[4-chloro-1-[(2,4-difluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370300
1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132798
1-[[1-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 58370148
[1-[[4-chloro-1-[(4-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]cyclobutyl] formate
CID 174532360
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
1-[[1-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 69343981
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120530828
2-[[4-chloro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11648395
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350526
1-[[1-(2-imidazol-1-ylethoxy)-4-methylnaphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 143600348
4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
CID 174546186

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 58370152) is 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2c1OCc1ccccc1.
What is the InChIKey of 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is FHQOQGCWZIPQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c24-19-13-18(21(26)25-23(22(27)28)11-6-12-23)20(17-10-5-4-9-16(17)19)29-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,25,26)(H,27,28).
What are the key properties of 1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-chloro-1-phenylmethoxynaphthalene-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-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58370152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).