5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide

C17H27ClN2O — CID 61106628

IUPAC5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(19)5-6-16(15)18/h5-6,11-13H,7-10,19H2,1-4H3
InChIKeyGDJNMLKBJWDUFC-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.46
Rot. Bonds7

About 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide

5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide (PubChem CID 61106628) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
PubChem CID61106628
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(19)5-6-16(15)18/h5-6,11-13H,7-10,19H2,1-4H3
InChIKeyGDJNMLKBJWDUFC-UHFFFAOYSA-N
XLogP4.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
N-(2-amino-2-oxoethyl)-2,5-dichloro-N-(3-methylbutyl)benzamide
CID 156846570
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
CID 114371455
2-hydrazinyl-N,N-bis(3-methylbutyl)benzamide
CID 107871087

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide (CID 61106628) is 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is GDJNMLKBJWDUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(19)5-6-16(15)18/h5-6,11-13H,7-10,19H2,1-4H3.
What are the key properties of 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide?
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 310.87 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 61106628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).