5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide

C17H25ClN2O — CID 62176897

IUPAC5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C17H25ClN2O/c1-4-9-19-16-8-7-14(18)10-15(16)17(21)20(12(2)3)11-13-5-6-13/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3
InChIKeyRCTBLWAMZKEBEZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.42
Rot. Bonds7

About 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide

5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide (PubChem CID 62176897) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
PubChem CID62176897
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C17H25ClN2O/c1-4-9-19-16-8-7-14(18)10-15(16)17(21)20(12(2)3)11-13-5-6-13/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3
InChIKeyRCTBLWAMZKEBEZ-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180458
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
N-(cyclopropylmethyl)-N,5-dimethyl-2-(propylamino)benzamide
CID 62509873
N-(cyclopropylmethyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62178134
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 63228421
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-2-(methylamino)benzamide
CID 64522049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide (CID 62176897) is 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)N(CC1CC1)C(C)C.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide?
The InChIKey is RCTBLWAMZKEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-9-19-16-8-7-14(18)10-15(16)17(21)20(12(2)3)11-13-5-6-13/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide?
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide has a molecular weight of 308.85 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide is sourced from PubChem (CID 62176897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).