methyl 4-chloro-2-(furan-2-carbonylamino)benzoate

C13H10ClNO4 — CID 60630180

IUPACmethyl 4-chloro-2-(furan-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C13H10ClNO4/c1-18-13(17)9-5-4-8(14)7-10(9)15-12(16)11-3-2-6-19-11/h2-7H,1H3,(H,15,16)
InChIKeyXLDGVVNVRNJYLG-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.97
Rot. Bonds3

About methyl 4-chloro-2-(furan-2-carbonylamino)benzoate

methyl 4-chloro-2-(furan-2-carbonylamino)benzoate (PubChem CID 60630180) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is methyl 4-chloro-2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(furan-2-carbonylamino)benzoate
PubChem CID60630180
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Namemethyl 4-chloro-2-(furan-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C13H10ClNO4/c1-18-13(17)9-5-4-8(14)7-10(9)15-12(16)11-3-2-6-19-11/h2-7H,1H3,(H,15,16)
InChIKeyXLDGVVNVRNJYLG-UHFFFAOYSA-N
XLogP2.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
methyl 3-amino-4-(furan-2-carbonylamino)benzoate
CID 110481051
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2496774
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(furan-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-chloro-2-(furan-2-carbonylamino)benzoate (CID 60630180) is methyl 4-chloro-2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-chloro-2-(furan-2-carbonylamino)benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of methyl 4-chloro-2-(furan-2-carbonylamino)benzoate?
The InChIKey is XLDGVVNVRNJYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-13(17)9-5-4-8(14)7-10(9)15-12(16)11-3-2-6-19-11/h2-7H,1H3,(H,15,16).
What are the key properties of methyl 4-chloro-2-(furan-2-carbonylamino)benzoate?
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate has a molecular weight of 279.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 60630180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).