4-(butan-2-ylamino)-2-chlorobenzamide

C11H15ClN2O — CID 43736488

IUPAC4-(butan-2-ylamino)-2-chlorobenzamide
SMILESCCC(C)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-7(2)14-8-4-5-9(11(13)15)10(12)6-8/h4-7,14H,3H2,1-2H3,(H2,13,15)
InChIKeySTEIFTMWBJDVFI-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.65
Rot. Bonds4

About 4-(butan-2-ylamino)-2-chlorobenzamide

4-(butan-2-ylamino)-2-chlorobenzamide (PubChem CID 43736488) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-2-chlorobenzamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-2-chlorobenzamide
PubChem CID43736488
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-(butan-2-ylamino)-2-chlorobenzamide
SMILESCCC(C)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-7(2)14-8-4-5-9(11(13)15)10(12)6-8/h4-7,14H,3H2,1-2H3,(H2,13,15)
InChIKeySTEIFTMWBJDVFI-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
CID 43736529
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
4-(butan-2-ylamino)-2-fluorobenzenecarbothioamide
CID 115367722
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184
2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
CID 140538473

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-2-chlorobenzamide?
The IUPAC name of 4-(butan-2-ylamino)-2-chlorobenzamide (CID 43736488) is 4-(butan-2-ylamino)-2-chlorobenzamide.
What is the SMILES notation for 4-(butan-2-ylamino)-2-chlorobenzamide?
The canonical SMILES for 4-(butan-2-ylamino)-2-chlorobenzamide is CCC(C)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 4-(butan-2-ylamino)-2-chlorobenzamide?
The InChIKey is STEIFTMWBJDVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-7(2)14-8-4-5-9(11(13)15)10(12)6-8/h4-7,14H,3H2,1-2H3,(H2,13,15).
What are the key properties of 4-(butan-2-ylamino)-2-chlorobenzamide?
4-(butan-2-ylamino)-2-chlorobenzamide has a molecular weight of 226.71 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-2-chlorobenzamide is sourced from PubChem (CID 43736488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).