3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide

C16H16Cl2N2O — CID 61113200

IUPAC3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(N)c(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-5-3-2-4-6-11)9-20-16(21)12-7-13(17)15(18)14(19)8-12/h2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyHVXLSZYAGVMAOL-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.11
Rot. Bonds4

About 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide

3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide (PubChem CID 61113200) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
PubChem CID61113200
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(N)c(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-5-3-2-4-6-11)9-20-16(21)12-7-13(17)15(18)14(19)8-12/h2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyHVXLSZYAGVMAOL-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
CID 61140669
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide
CID 61113833
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
1-phenylethyl 3-amino-4,5-dichlorobenzoate
CID 61308316
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide (CID 61113200) is 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cc(N)c(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide?
The InChIKey is HVXLSZYAGVMAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(11-5-3-2-4-6-11)9-20-16(21)12-7-13(17)15(18)14(19)8-12/h2-8,10H,9,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide?
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide has a molecular weight of 323.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 61113200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).