4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide

C14H14ClN3O — CID 81403929

IUPAC4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1cccnc1
InChIInChI=1S/C14H14ClN3O/c1-9(11-3-2-6-17-8-11)18-14(19)10-4-5-13(16)12(15)7-10/h2-9H,16H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyOBBBETAENFOPPE-VIFPVBQESA-N
MW275.74 g/mol
LogP2.81
Rot. Bonds3

About 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide

4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide (PubChem CID 81403929) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
PubChem CID81403929
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1cccnc1
InChIInChI=1S/C14H14ClN3O/c1-9(11-3-2-6-17-8-11)18-14(19)10-4-5-13(16)12(15)7-10/h2-9H,16H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyOBBBETAENFOPPE-VIFPVBQESA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.81
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-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
4-hydrazinyl-3-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 63212800
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide (CID 81403929) is 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1cccnc1.
What is the InChIKey of 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is OBBBETAENFOPPE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(11-3-2-6-17-8-11)18-14(19)10-4-5-13(16)12(15)7-10/h2-9H,16H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 81403929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).