2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide

C13H18ClN3O2 — CID 47325825

IUPAC2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
SMILESCCN(CC)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-4-17(5-2)13(19)16-9-6-7-10(11(14)8-9)12(18)15-3/h6-8H,4-5H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWTWXJNJSWLIDPL-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide

2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide (PubChem CID 47325825) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
PubChem CID47325825
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
SMILESCCN(CC)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-4-17(5-2)13(19)16-9-6-7-10(11(14)8-9)12(18)15-3/h6-8H,4-5H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWTWXJNJSWLIDPL-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959
2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63691124
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564
(1S,6R)-6-[[3-chloro-4-(methylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599129
2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 47325828
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
CID 119742691
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
CID 138044558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide?
The IUPAC name of 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide (CID 47325825) is 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide is CCN(CC)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide?
The InChIKey is WTWXJNJSWLIDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-17(5-2)13(19)16-9-6-7-10(11(14)8-9)12(18)15-3/h6-8H,4-5H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide?
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide is sourced from PubChem (CID 47325825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).