2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid

C14H13ClN2O4 — CID 63724318

IUPAC2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(Cc1ccco1)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-17(8-9-4-3-7-21-9)14(20)16-11-6-2-5-10(15)12(11)13(18)19/h2-7H,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGXKIRVDGHBUZLW-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid

2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 63724318) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID63724318
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(Cc1ccco1)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-17(8-9-4-3-7-21-9)14(20)16-11-6-2-5-10(15)12(11)13(18)19/h2-7H,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGXKIRVDGHBUZLW-UHFFFAOYSA-N
XLogP3.30
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
2-chloro-6-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 63723469
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid (CID 63724318) is 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid is CN(Cc1ccco1)C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is GXKIRVDGHBUZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-17(8-9-4-3-7-21-9)14(20)16-11-6-2-5-10(15)12(11)13(18)19/h2-7H,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid?
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63724318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).