3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

C14H22ClN3O — CID 106033172

IUPAC3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H22ClN3O/c1-10(2)18(3)9-5-8-17-14(19)11-6-4-7-12(16)13(11)15/h4,6-7,10H,5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyMMZWEANKHKHGPF-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.38
Rot. Bonds6

About 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (PubChem CID 106033172) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
PubChem CID106033172
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H22ClN3O/c1-10(2)18(3)9-5-8-17-14(19)11-6-4-7-12(16)13(11)15/h4,6-7,10H,5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyMMZWEANKHKHGPF-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-2-nitrobenzamide
CID 106050162
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (CID 106033172) is 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is CC(C)N(C)CCCNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The InChIKey is MMZWEANKHKHGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)18(3)9-5-8-17-14(19)11-6-4-7-12(16)13(11)15/h4,6-7,10H,5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide has a molecular weight of 283.80 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 106033172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).