2-chloro-4-(2-methylpropylamino)benzamide

C11H15ClN2O — CID 43736438

IUPAC2-chloro-4-(2-methylpropylamino)benzamide
SMILESCC(C)CNc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7(2)6-14-8-3-4-9(11(13)15)10(12)5-8/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyPLPVJQOKIPGXBL-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-4-(2-methylpropylamino)benzamide

2-chloro-4-(2-methylpropylamino)benzamide (PubChem CID 43736438) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropylamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropylamino)benzamide
PubChem CID43736438
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(2-methylpropylamino)benzamide
SMILESCC(C)CNc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7(2)6-14-8-3-4-9(11(13)15)10(12)5-8/h3-5,7,14H,6H2,1-2H3,(H2,13,15)
InChIKeyPLPVJQOKIPGXBL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(2-methylpropylamino)benzenecarbothioamide
CID 62948609
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-chloro-4-(2-methylpropylamino)phenol
CID 107678389
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
CID 55153736
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
CID 115523744
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 62346089

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropylamino)benzamide?
The IUPAC name of 2-chloro-4-(2-methylpropylamino)benzamide (CID 43736438) is 2-chloro-4-(2-methylpropylamino)benzamide.
What is the SMILES notation for 2-chloro-4-(2-methylpropylamino)benzamide?
The canonical SMILES for 2-chloro-4-(2-methylpropylamino)benzamide is CC(C)CNc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylpropylamino)benzamide?
The InChIKey is PLPVJQOKIPGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(2)6-14-8-3-4-9(11(13)15)10(12)5-8/h3-5,7,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-chloro-4-(2-methylpropylamino)benzamide?
2-chloro-4-(2-methylpropylamino)benzamide has a molecular weight of 226.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropylamino)benzamide is sourced from PubChem (CID 43736438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).