4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide

C14H13Cl2N3O — CID 82833170

IUPAC4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1cccnc1
InChIInChI=1S/C14H13Cl2N3O/c1-8(9-3-2-4-18-7-9)19-14(20)10-5-11(15)13(17)12(16)6-10/h2-8H,17H2,1H3,(H,19,20)/t8-/m0/s1
InChIKeyDXOCIYRHEBUGMW-QMMMGPOBSA-N
MW310.18 g/mol
LogP3.46
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide

4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide (PubChem CID 82833170) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
PubChem CID82833170
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1cccnc1
InChIInChI=1S/C14H13Cl2N3O/c1-8(9-3-2-4-18-7-9)19-14(20)10-5-11(15)13(17)12(16)6-10/h2-8H,17H2,1H3,(H,19,20)/t8-/m0/s1
InChIKeyDXOCIYRHEBUGMW-QMMMGPOBSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide (CID 82833170) is 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide is C[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1cccnc1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is DXOCIYRHEBUGMW-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8(9-3-2-4-18-7-9)19-14(20)10-5-11(15)13(17)12(16)6-10/h2-8H,17H2,1H3,(H,19,20)/t8-/m0/s1.
What are the key properties of 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 82833170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).