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

C17H18ClFN4O3 — CID 87654077

IUPAC2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate
SMILESCC(=O)N(CCOC(=O)Nc1ccc(F)cn1)NCc1ccccc1Cl
InChIInChI=1S/C17H18ClFN4O3/c1-12(24)23(21-10-13-4-2-3-5-15(13)18)8-9-26-17(25)22-16-7-6-14(19)11-20-16/h2-7,11,21H,8-10H2,1H3,(H,20,22,25)
InChIKeyKNHJWUUKCLPICY-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.98
Rot. Bonds7

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

2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate (PubChem CID 87654077) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate
PubChem CID87654077
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate
SMILESCC(=O)N(CCOC(=O)Nc1ccc(F)cn1)NCc1ccccc1Cl
InChIInChI=1S/C17H18ClFN4O3/c1-12(24)23(21-10-13-4-2-3-5-15(13)18)8-9-26-17(25)22-16-7-6-14(19)11-20-16/h2-7,11,21H,8-10H2,1H3,(H,20,22,25)
InChIKeyKNHJWUUKCLPICY-UHFFFAOYSA-N
XLogP2.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(1,3-benzothiazol-2-yl)carbamate
CID 87653952
2-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]ethyl N-(5-fluoro-4-methyl-2-pyridinyl)carbamate
CID 91218538
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
2-chloro-3-[[[2-[(6-fluoroisoquinolin-3-yl)carbamoyloxy]ethyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 67607180
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate
CID 59778513
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
1-[acetyl-[(2-chlorophenyl)methylamino]amino]propan-2-yl N-(4-ethylphenyl)carbamate
CID 140526673
ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
CID 113028219
[(2S)-2-[acetyl-[(2-chloro-4-fluorophenyl)methylamino]amino]-4-hydroxy-4-methylpentyl] N-(5-fluoroisoquinolin-3-yl)carbamate
CID 140542300
2-(2-chlorophenyl)-N-(5-formyl-2-pyridinyl)acetamide
CID 57251088

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate (CID 87654077) is 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate is CC(=O)N(CCOC(=O)Nc1ccc(F)cn1)NCc1ccccc1Cl.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate?
The InChIKey is KNHJWUUKCLPICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-12(24)23(21-10-13-4-2-3-5-15(13)18)8-9-26-17(25)22-16-7-6-14(19)11-20-16/h2-7,11,21H,8-10H2,1H3,(H,20,22,25).
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate?
2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate has a molecular weight of 380.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-chlorophenyl)methylamino]amino]ethyl N-(5-fluoro-2-pyridinyl)carbamate is sourced from PubChem (CID 87654077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).