2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate

C18H20ClFN4O3 — CID 91218538

IUPAC2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate
SMILESCc1cc(NC(=O)OCCNC(=O)CNCc2ccccc2Cl)ncc1F
InChIInChI=1S/C18H20ClFN4O3/c1-12-8-16(23-10-15(12)20)24-18(26)27-7-6-22-17(25)11-21-9-13-4-2-3-5-14(13)19/h2-5,8,10,21H,6-7,9,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyZSYPYZNLMJDYHG-UHFFFAOYSA-N
MW394.83 g/mol
LogP2.64
Rot. Bonds8

About 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate

2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate (PubChem CID 91218538) has the molecular formula C18H20ClFN4O3 and a molecular weight of 394.83 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate
PubChem CID91218538
Molecular FormulaC18H20ClFN4O3
Molecular Weight394.83 g/mol
Exact Mass394.12
IUPAC Name2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate
SMILESCc1cc(NC(=O)OCCNC(=O)CNCc2ccccc2Cl)ncc1F
InChIInChI=1S/C18H20ClFN4O3/c1-12-8-16(23-10-15(12)20)24-18(26)27-7-6-22-17(25)11-21-9-13-4-2-3-5-14(13)19/h2-5,8,10,21H,6-7,9,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyZSYPYZNLMJDYHG-UHFFFAOYSA-N
XLogP2.64
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-chloro-3-fluorophenyl)methylamino]acetyl]amino]ethyl N-[6-(hydroxymethyl)isoquinolin-3-yl]carbamate
CID 91002535
3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-isoquinolin-3-ylpropanamide
CID 174615679
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate
CID 87654077
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
[(2S)-2-[[2-[(2-chloro-3-fluorophenyl)methylamino]acetyl]amino]-5-(3-hydroxypropylamino)-5-oxopentyl] N-isoquinolin-3-ylcarbamate
CID 174600382
2-[(2-chlorophenyl)methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 54832861
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate (CID 91218538) is 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate is Cc1cc(NC(=O)OCCNC(=O)CNCc2ccccc2Cl)ncc1F.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate?
The InChIKey is ZSYPYZNLMJDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O3/c1-12-8-16(23-10-15(12)20)24-18(26)27-7-6-22-17(25)11-21-9-13-4-2-3-5-14(13)19/h2-5,8,10,21H,6-7,9,11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate?
2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate has a molecular weight of 394.83 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 91218538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).