[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate

C20H15ClFN3O3 — CID 151834558

IUPAC[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)ccc1F
InChIInChI=1S/C20H15ClFN3O3/c21-14-4-1-12(2-5-14)10-24-15-6-8-17(25-11-15)19(26)13-3-7-16(22)18(9-13)28-20(23)27/h1-9,11,24H,10H2,(H2,23,27)
InChIKeySFJOLVSQIIXBRL-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.17
Rot. Bonds6

About [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate

[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate (PubChem CID 151834558) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate
PubChem CID151834558
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Name[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)ccc1F
InChIInChI=1S/C20H15ClFN3O3/c21-14-4-1-12(2-5-14)10-24-15-6-8-17(25-11-15)19(26)13-3-7-16(22)18(9-13)28-20(23)27/h1-9,11,24H,10H2,(H2,23,27)
InChIKeySFJOLVSQIIXBRL-UHFFFAOYSA-N
XLogP4.17
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
methyl 5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 66629622
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
[5-(4-aminobenzoyl)-2-fluorophenyl] carbamate
CID 150807360
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190099
(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate?
The IUPAC name of [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate (CID 151834558) is [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate.
What is the SMILES notation for [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate?
The canonical SMILES for [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate is NC(=O)Oc1cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)ccc1F.
What is the InChIKey of [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate?
The InChIKey is SFJOLVSQIIXBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c21-14-4-1-12(2-5-14)10-24-15-6-8-17(25-11-15)19(26)13-3-7-16(22)18(9-13)28-20(23)27/h1-9,11,24H,10H2,(H2,23,27).
What are the key properties of [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate?
[5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate has a molecular weight of 399.81 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]-2-fluorophenyl] carbamate is sourced from PubChem (CID 151834558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).