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

C15H22ClN3O2 — CID 60543564

IUPAC2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
SMILESCCCCCCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1
InChIInChI=1S/C15H22ClN3O2/c1-3-4-5-6-9-18-15(21)19-11-7-8-12(13(16)10-11)14(20)17-2/h7-8,10H,3-6,9H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyWOUHHXOHEFKJRX-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.40
Rot. Bonds7

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

2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide (PubChem CID 60543564) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
PubChem CID60543564
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
SMILESCCCCCCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1
InChIInChI=1S/C15H22ClN3O2/c1-3-4-5-6-9-18-15(21)19-11-7-8-12(13(16)10-11)14(20)17-2/h7-8,10H,3-6,9H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyWOUHHXOHEFKJRX-UHFFFAOYSA-N
XLogP3.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
2,4-dichloro-N-nonylbenzamide
CID 3596264
2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 47325828
2-(4-aminophenoxy)-N-methyl-5-(pentylcarbamoylamino)benzamide
CID 69144245
2-fluoro-4-(pentylcarbamoylamino)benzoic acid
CID 107795733
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
3-(butylcarbamoylamino)-4-chloro-N-methylbenzamide
CID 47223827
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide?
The IUPAC name of 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide (CID 60543564) is 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide is CCCCCCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide?
The InChIKey is WOUHHXOHEFKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-4-5-6-9-18-15(21)19-11-7-8-12(13(16)10-11)14(20)17-2/h7-8,10H,3-6,9H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide?
2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide is sourced from PubChem (CID 60543564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).