2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide

C15H19ClN2O — CID 54864640

IUPAC2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C2CC2)C2CC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O/c1-17-15(19)12-8-11(6-7-13(12)16)18-14(9-2-3-9)10-4-5-10/h6-10,14,18H,2-5H2,1H3,(H,17,19)
InChIKeySGMQQRADVULYKX-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.30
Rot. Bonds5

About 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide

2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide (PubChem CID 54864640) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
PubChem CID54864640
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C2CC2)C2CC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O/c1-17-15(19)12-8-11(6-7-13(12)16)18-14(9-2-3-9)10-4-5-10/h6-10,14,18H,2-5H2,1H3,(H,17,19)
InChIKeySGMQQRADVULYKX-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(dicyclopropylmethylamino)benzoic acid
CID 62945756
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
CID 52666272
2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131863
2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
CID 65079977
2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
CID 60935553
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide?
The IUPAC name of 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide (CID 54864640) is 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide is CNC(=O)c1cc(NC(C2CC2)C2CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide?
The InChIKey is SGMQQRADVULYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-17-15(19)12-8-11(6-7-13(12)16)18-14(9-2-3-9)10-4-5-10/h6-10,14,18H,2-5H2,1H3,(H,17,19).
What are the key properties of 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide?
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide has a molecular weight of 278.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide is sourced from PubChem (CID 54864640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).