5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide

C14H19Cl2N3O2 — CID 107185802

IUPAC5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(C)CNC(=O)C(C)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O2/c1-7(2)6-18-13(20)8(3)19-14(21)10-4-9(17)5-11(15)12(10)16/h4-5,7-8H,6,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMPAYPNJQMIPLQA-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide

5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 107185802) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
PubChem CID107185802
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(C)CNC(=O)C(C)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O2/c1-7(2)6-18-13(20)8(3)19-14(21)10-4-9(17)5-11(15)12(10)16/h4-5,7-8H,6,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMPAYPNJQMIPLQA-UHFFFAOYSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide
CID 107184940
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
4-methylpentan-2-yl 5-amino-2,3-dichlorobenzoate
CID 107198902
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
CID 107183624
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
CID 23967386
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111115939

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide (CID 107185802) is 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide is CC(C)CNC(=O)C(C)NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is MPAYPNJQMIPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-7(2)6-18-13(20)8(3)19-14(21)10-4-9(17)5-11(15)12(10)16/h4-5,7-8H,6,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide?
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 332.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 107185802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).