N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide

C16H16Cl2N2O — CID 80507130

IUPACN-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
SMILESNC(CCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-12-6-7-14(18)13(10-12)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21)
InChIKeyWYMSNIQCSBWKPZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.81
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide

N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide (PubChem CID 80507130) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
PubChem CID80507130
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
SMILESNC(CCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-12-6-7-14(18)13(10-12)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21)
InChIKeyWYMSNIQCSBWKPZ-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540904

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide (CID 80507130) is N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide is NC(CCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide?
The InChIKey is WYMSNIQCSBWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-12-6-7-14(18)13(10-12)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide?
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide has a molecular weight of 323.22 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide is sourced from PubChem (CID 80507130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).