2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid

C14H13ClN2O4 — CID 62524083

IUPAC2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
SMILESCc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)O)c2)o1
InChIInChI=1S/C14H13ClN2O4/c1-8-2-4-10(21-8)7-16-14(20)17-9-3-5-12(15)11(6-9)13(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyARAFCTYNYDWQRE-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.26
Rot. Bonds4

About 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid

2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid (PubChem CID 62524083) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
PubChem CID62524083
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
SMILESCc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)O)c2)o1
InChIInChI=1S/C14H13ClN2O4/c1-8-2-4-10(21-8)7-16-14(20)17-9-3-5-12(15)11(6-9)13(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyARAFCTYNYDWQRE-UHFFFAOYSA-N
XLogP3.26
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
CID 74228702
5-iodo-2-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 63111988
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]benzoic acid
CID 63303931
2-chloro-5-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81178009
2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4575448
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 162459049
2-chloro-5-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301290
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid (CID 62524083) is 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid is Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)O)c2)o1.
What is the InChIKey of 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid?
The InChIKey is ARAFCTYNYDWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-8-2-4-10(21-8)7-16-14(20)17-9-3-5-12(15)11(6-9)13(18)19/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid?
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 62524083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).