5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide

C14H21ClN2O — CID 55047014

IUPAC5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(2)7-10(3)17-14(18)12-8-11(15)5-6-13(12)16-4/h5-6,8-10,16H,7H2,1-4H3,(H,17,18)
InChIKeyDQMXLEIPLWJRED-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide

5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide (PubChem CID 55047014) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide
PubChem CID55047014
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NC(C)CC(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(2)7-10(3)17-14(18)12-8-11(15)5-6-13(12)16-4/h5-6,8-10,16H,7H2,1-4H3,(H,17,18)
InChIKeyDQMXLEIPLWJRED-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61146087
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2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
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5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
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5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
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5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
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N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
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5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide (CID 55047014) is 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide is CNc1ccc(Cl)cc1C(=O)NC(C)CC(C)C.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is DQMXLEIPLWJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)7-10(3)17-14(18)12-8-11(15)5-6-13(12)16-4/h5-6,8-10,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide?
5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 55047014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).