(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate

C20H17ClN2O4 — CID 110188571

IUPAC(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc(OCc3ccc(Cl)nc3)cc2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-16-7-9-18(10-8-16)27-20(24)23-15-3-5-17(6-4-15)26-13-14-2-11-19(21)22-12-14/h2-12H,13H2,1H3,(H,23,24)
InChIKeyONLSTUUEYIOTHS-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.93
Rot. Bonds6

About (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate

(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate (PubChem CID 110188571) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
PubChem CID110188571
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc(OCc3ccc(Cl)nc3)cc2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-16-7-9-18(10-8-16)27-20(24)23-15-3-5-17(6-4-15)26-13-14-2-11-19(21)22-12-14/h2-12H,13H2,1H3,(H,23,24)
InChIKeyONLSTUUEYIOTHS-UHFFFAOYSA-N
XLogP4.93
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
CID 52688698
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
1-(6-chloro-3-pyridinyl)-3-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]urea
CID 135238768
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481
4-[(6-chloro-3-pyridinyl)methoxy]aniline
CID 20537895
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566677
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone
CID 121418316
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
CID 134448147

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate (CID 110188571) is (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate is COc1ccc(OC(=O)Nc2ccc(OCc3ccc(Cl)nc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate?
The InChIKey is ONLSTUUEYIOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-25-16-7-9-18(10-8-16)27-20(24)23-15-3-5-17(6-4-15)26-13-14-2-11-19(21)22-12-14/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate?
(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate has a molecular weight of 384.82 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 110188571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).