2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide

C13H18ClN3O2 — CID 47325563

IUPAC2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-8(2)7-16-13(19)17-9-4-5-10(11(14)6-9)12(18)15-3/h4-6,8H,7H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyRNNVJFUREVLLJW-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide

2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 47325563) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
PubChem CID47325563
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(NC(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-8(2)7-16-13(19)17-9-4-5-10(11(14)6-9)12(18)15-3/h4-6,8H,7H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyRNNVJFUREVLLJW-UHFFFAOYSA-N
XLogP2.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
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-(2-methylpropylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077148
2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564
2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
CID 60543539
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide (CID 47325563) is 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide is CNC(=O)c1ccc(NC(=O)NCC(C)C)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is RNNVJFUREVLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)7-16-13(19)17-9-4-5-10(11(14)6-9)12(18)15-3/h4-6,8H,7H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide has a molecular weight of 283.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 47325563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).