4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide

C13H18ClN3O2 — CID 47223817

IUPAC4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)NCC(C)C)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)7-16-13(19)17-11-6-9(12(18)15-3)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyXMEOCNXOSDIISN-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.48
Rot. Bonds4

About 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide

4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 47223817) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
PubChem CID47223817
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)NCC(C)C)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)7-16-13(19)17-11-6-9(12(18)15-3)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyXMEOCNXOSDIISN-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

3-(butylcarbamoylamino)-4-chloro-N-methylbenzamide
CID 47223827
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
CID 82012587
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
CID 110612624
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide (CID 47223817) is 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide is CNC(=O)c1ccc(Cl)c(NC(=O)NCC(C)C)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is XMEOCNXOSDIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)7-16-13(19)17-11-6-9(12(18)15-3)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide?
4-chloro-N-methyl-3-(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 4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 47223817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).