N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide

C16H25ClN2O — CID 62177319

IUPACN-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
SMILESCCCCN(C(=O)c1cc(Cl)ccc1NC)C(C)CC
InChIInChI=1S/C16H25ClN2O/c1-5-7-10-19(12(3)6-2)16(20)14-11-13(17)8-9-15(14)18-4/h8-9,11-12,18H,5-7,10H2,1-4H3
InChIKeyCXFOBJJGUNQUOC-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.42
Rot. Bonds7

About N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide

N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide (PubChem CID 62177319) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
PubChem CID62177319
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
SMILESCCCCN(C(=O)c1cc(Cl)ccc1NC)C(C)CC
InChIInChI=1S/C16H25ClN2O/c1-5-7-10-19(12(3)6-2)16(20)14-11-13(17)8-9-15(14)18-4/h8-9,11-12,18H,5-7,10H2,1-4H3
InChIKeyCXFOBJJGUNQUOC-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
CID 62241178
N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
CID 79778285
N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
CID 107676641
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
CID 81240030
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
CID 63010043
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
N-butan-2-yl-N-butyl-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256224
N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
CID 62176971
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
CID 113478170

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide?
The IUPAC name of N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide (CID 62177319) is N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide?
The canonical SMILES for N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide is CCCCN(C(=O)c1cc(Cl)ccc1NC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide?
The InChIKey is CXFOBJJGUNQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-7-10-19(12(3)6-2)16(20)14-11-13(17)8-9-15(14)18-4/h8-9,11-12,18H,5-7,10H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide?
N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide has a molecular weight of 296.84 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 N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide is sourced from PubChem (CID 62177319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).