(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate

C16H15Cl2NO4 — CID 39846904

IUPAC(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CNC(=O)Oc2cc(Cl)ccc2Cl)cc(OC)c1
InChIInChI=1S/C16H15Cl2NO4/c1-21-12-5-10(6-13(8-12)22-2)9-19-16(20)23-15-7-11(17)3-4-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDRSOOUQQAHFQRW-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.30
Rot. Bonds5

About (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate

(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate (PubChem CID 39846904) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate
PubChem CID39846904
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CNC(=O)Oc2cc(Cl)ccc2Cl)cc(OC)c1
InChIInChI=1S/C16H15Cl2NO4/c1-21-12-5-10(6-13(8-12)22-2)9-19-16(20)23-15-7-11(17)3-4-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDRSOOUQQAHFQRW-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
methyl N-(2,5-dichlorophenoxy)carbamate
CID 14391361

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate (CID 39846904) is (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate is COc1cc(CNC(=O)Oc2cc(Cl)ccc2Cl)cc(OC)c1.
What is the InChIKey of (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate?
The InChIKey is DRSOOUQQAHFQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-21-12-5-10(6-13(8-12)22-2)9-19-16(20)23-15-7-11(17)3-4-14(15)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate?
(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate has a molecular weight of 356.21 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 39846904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).