2-chloro-4-(dimethylcarbamoylamino)benzoic acid

C10H11ClN2O3 — CID 14651092

IUPAC2-chloro-4-(dimethylcarbamoylamino)benzoic acid
SMILESCN(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-7(9(14)15)8(11)5-6/h3-5H,1-2H3,(H,12,16)(H,14,15)
InChIKeyRXKVDCNQFKONLD-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.13
Rot. Bonds2

About 2-chloro-4-(dimethylcarbamoylamino)benzoic acid

2-chloro-4-(dimethylcarbamoylamino)benzoic acid (PubChem CID 14651092) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-chloro-4-(dimethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(dimethylcarbamoylamino)benzoic acid
PubChem CID14651092
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-chloro-4-(dimethylcarbamoylamino)benzoic acid
SMILESCN(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-7(9(14)15)8(11)5-6/h3-5H,1-2H3,(H,12,16)(H,14,15)
InChIKeyRXKVDCNQFKONLD-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Aminocarbonyl)amino)benzoic acid
CID 80564
3-{[(3-Chlorophenyl)carbamoyl]amino}benzoic acid
CID 2811511
4-(((Methylnitrosoamino)carbonyl)amino)benzoic acid
CID 101388
4-[(Phenylcarbamoyl)amino]benzoic acid
CID 231278
4-(3,3-Dimethylureido)benzoic acid
CID 350217
3-Chloro-4-[3-(2,4-dichloro-benzoyl)-ureido]-benzoic acid
CID 10126531
3-Chloro-4-[3-(2-chloro-benzoyl)-ureido]-benzoic acid
CID 11559416
3-Chloro-4-[3-(2-chloro-4-fluoro-benzoyl)-ureido]-benzoic acid
CID 11617637
2-Chloro-4-(pyrrolidin-1-yl)benzoic acid
CID 2763553
4-Acetamido-2-chlorobenzoic acid
CID 181587
2-Chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
CID 54595452
2-Chloro-4-(methylamino)benzoic acid
CID 287309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)benzoic acid (CID 14651092) is 2-chloro-4-(dimethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(dimethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(dimethylcarbamoylamino)benzoic acid is CN(C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dimethylcarbamoylamino)benzoic acid?
The InChIKey is RXKVDCNQFKONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-13(2)10(16)12-6-3-4-7(9(14)15)8(11)5-6/h3-5H,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-chloro-4-(dimethylcarbamoylamino)benzoic acid?
2-chloro-4-(dimethylcarbamoylamino)benzoic acid has a molecular weight of 242.66 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 14651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).