(2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate

C20H17ClN2O2 — CID 46829230

IUPAC(2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
SMILESCN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2/c1-23(20(24)25-19-8-3-2-7-18(19)21)14-15-5-4-6-17(13-15)16-9-11-22-12-10-16/h2-13H,14H2,1H3
InChIKeyNNMVBUUQSZHUBT-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.03
Rot. Bonds4

About (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate

(2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate (PubChem CID 46829230) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
PubChem CID46829230
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
SMILESCN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C20H17ClN2O2/c1-23(20(24)25-19-8-3-2-7-18(19)21)14-15-5-4-6-17(13-15)16-9-11-22-12-10-16/h2-13H,14H2,1H3
InChIKeyNNMVBUUQSZHUBT-UHFFFAOYSA-N
XLogP5.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazine-1-carboxylate
CID 10598920
Phenyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl)piperazine-1-carboxylate
CID 10670356
Methyl-phenyl-carbamic acid 4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-phenyl
CID 10287897
Phenyl 4-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazine-1-carboxylate
CID 56665859
Phenyl 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperazine-1-carboxylate
CID 56669061
6-[4-[(3-Chloro-4-methyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
CID 86764319
6-[4-[(3-Chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethyl-2(1H)-pyrazinone
CID 112500028
2-Benzylphenyl methyl(3-(pyridin-4-yl)benzyl)carbamate
CID 17759250
Phenyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
CID 18337327
Phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752
(4-phenylphenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
CID 17759246
(Z)-3-(2-chloro-4-pyridinyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 76319815

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
The IUPAC name of (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate (CID 46829230) is (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate.
What is the SMILES notation for (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
The canonical SMILES for (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate is CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
The InChIKey is NNMVBUUQSZHUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-23(20(24)25-19-8-3-2-7-18(19)21)14-15-5-4-6-17(13-15)16-9-11-22-12-10-16/h2-13H,14H2,1H3.
What are the key properties of (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate?
(2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate has a molecular weight of 352.82 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate is sourced from PubChem (CID 46829230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).