(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate

C20H17ClN2O2 — CID 171824215

IUPAC(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cc2cccnc2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c21-18-7-3-16(4-8-18)14-25-20(24)23-19-9-5-15(6-10-19)12-17-2-1-11-22-13-17/h1-11,13H,12,14H2,(H,23,24)
InChIKeyXZSLQBRBJZTOJR-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.07
Rot. Bonds5

About (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate

(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate (PubChem CID 171824215) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
PubChem CID171824215
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cc2cccnc2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c21-18-7-3-16(4-8-18)14-25-20(24)23-19-9-5-15(6-10-19)12-17-2-1-11-22-13-17/h1-11,13H,12,14H2,(H,23,24)
InChIKeyXZSLQBRBJZTOJR-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
CID 1213745
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
CID 10662163
(4-chlorophenyl)methyl N-[4-[(carbonocyanidoylamino)methyl]phenyl]carbamate
CID 171824303
(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824141

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate (CID 171824215) is (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate is O=C(Nc1ccc(Cc2cccnc2)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate?
The InChIKey is XZSLQBRBJZTOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-18-7-3-16(4-8-18)14-25-20(24)23-19-9-5-15(6-10-19)12-17-2-1-11-22-13-17/h1-11,13H,12,14H2,(H,23,24).
What are the key properties of (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate has a molecular weight of 352.82 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 171824215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).