5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide

C14H21ClN4O2 — CID 107196614

IUPAC5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
SMILESCC(C)CNC(=O)CN(C)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H21ClN4O2/c1-8(2)6-18-12(20)7-19(3)13-10(14(17)21)4-9(16)5-11(13)15/h4-5,8H,6-7,16H2,1-3H3,(H2,17,21)(H,18,20)
InChIKeyVLDMYCTVHDKOKH-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.23
Rot. Bonds6

About 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide

5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide (PubChem CID 107196614) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
PubChem CID107196614
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
SMILESCC(C)CNC(=O)CN(C)c1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H21ClN4O2/c1-8(2)6-18-12(20)7-19(3)13-10(14(17)21)4-9(16)5-11(13)15/h4-5,8H,6-7,16H2,1-3H3,(H2,17,21)(H,18,20)
InChIKeyVLDMYCTVHDKOKH-UHFFFAOYSA-N
XLogP1.23
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 107194778
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
5-amino-2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-chlorobenzamide
CID 107195251
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
[2-(2-methylpropylamino)-2-oxoethyl] 4-amino-2-chlorobenzoate
CID 61320883
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
5-amino-2-[bis(2-methylpropyl)amino]-3-chlorobenzoic acid
CID 107194462

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide (CID 107196614) is 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide is CC(C)CNC(=O)CN(C)c1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is VLDMYCTVHDKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-8(2)6-18-12(20)7-19(3)13-10(14(17)21)4-9(16)5-11(13)15/h4-5,8H,6-7,16H2,1-3H3,(H2,17,21)(H,18,20).
What are the key properties of 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide?
5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 312.80 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 107196614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).