5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide

C17H23ClN2O — CID 62177457

IUPAC5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-2-9-19-15-8-7-13(18)10-14(15)17(21)20-16(11-3-4-11)12-5-6-12/h7-8,10-12,16,19H,2-6,9H2,1H3,(H,20,21)
InChIKeyQSFAPIIYDVHJCK-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.08
Rot. Bonds7

About 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide

5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide (PubChem CID 62177457) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
PubChem CID62177457
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-2-9-19-15-8-7-13(18)10-14(15)17(21)20-16(11-3-4-11)12-5-6-12/h7-8,10-12,16,19H,2-6,9H2,1H3,(H,20,21)
InChIKeyQSFAPIIYDVHJCK-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)benzamide
CID 63995007
5-chloro-2-(propylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 62170551
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176897
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide (CID 62177457) is 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide?
The InChIKey is QSFAPIIYDVHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-2-9-19-15-8-7-13(18)10-14(15)17(21)20-16(11-3-4-11)12-5-6-12/h7-8,10-12,16,19H,2-6,9H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide?
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide has a molecular weight of 306.84 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62177457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).