2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

C16H16ClFN4O2 — CID 8676287

IUPAC2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-22(9-14(23)20-12-5-2-4-11(18)8-12)10-15(24)21-13-6-3-7-19-16(13)17/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyCCPDKCPTMNYLEG-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.38
Rot. Bonds6

About 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide

2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 8676287) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID8676287
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-22(9-14(23)20-12-5-2-4-11(18)8-12)10-15(24)21-13-6-3-7-19-16(13)17/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyCCPDKCPTMNYLEG-UHFFFAOYSA-N
XLogP2.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8556360
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
2-[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250691
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250787

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide (CID 8676287) is 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccnc1Cl.
What is the InChIKey of 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is CCPDKCPTMNYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-22(9-14(23)20-12-5-2-4-11(18)8-12)10-15(24)21-13-6-3-7-19-16(13)17/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 350.78 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 8676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).