N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide

C14H10BrCl2N3O2 — CID 71882048

IUPACN-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)C(NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H10BrCl2N3O2/c15-8-3-1-2-7(6-8)11(13(18)21)20-14(22)12-9(16)4-5-10(17)19-12/h1-6,11H,(H2,18,21)(H,20,22)
InChIKeyZEOKSAVUYKAXLC-UHFFFAOYSA-N
MW403.06 g/mol
LogP3.11
Rot. Bonds4

About N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide

N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide (PubChem CID 71882048) has the molecular formula C14H10BrCl2N3O2 and a molecular weight of 403.06 g/mol. Its IUPAC name is N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide
PubChem CID71882048
Molecular FormulaC14H10BrCl2N3O2
Molecular Weight403.06 g/mol
Exact Mass400.93
IUPAC NameN-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)C(NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H10BrCl2N3O2/c15-8-3-1-2-7(6-8)11(13(18)21)20-14(22)12-9(16)4-5-10(17)19-12/h1-6,11H,(H2,18,21)(H,20,22)
InChIKeyZEOKSAVUYKAXLC-UHFFFAOYSA-N
XLogP3.11
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(4-bromophenyl)-2-[(3,6-dichloropyridine-2-carbonyl)amino]acetate
CID 52537516
N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
CID 62237380
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 94829119
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 95276504
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 95304362
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
CID 120987982
(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide
CID 96998138
(2S)-2-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 103622853
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide (CID 71882048) is N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide is NC(=O)C(NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide?
The InChIKey is ZEOKSAVUYKAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3O2/c15-8-3-1-2-7(6-8)11(13(18)21)20-14(22)12-9(16)4-5-10(17)19-12/h1-6,11H,(H2,18,21)(H,20,22).
What are the key properties of N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide?
N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide has a molecular weight of 403.06 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 71882048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).