(2,5-dichlorobenzoyl)-methylcarbamic acid

C9H7Cl2NO3 — CID 21444917

IUPAC(2,5-dichlorobenzoyl)-methylcarbamic acid
SMILESCN(C(=O)O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c1-12(9(14)15)8(13)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,14,15)
InChIKeyXMSANLFSRYAUMJ-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.74
Rot. Bonds1

About (2,5-dichlorobenzoyl)-methylcarbamic acid

(2,5-dichlorobenzoyl)-methylcarbamic acid (PubChem CID 21444917) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is (2,5-dichlorobenzoyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2,5-dichlorobenzoyl)-methylcarbamic acid
PubChem CID21444917
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name(2,5-dichlorobenzoyl)-methylcarbamic acid
SMILESCN(C(=O)O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c1-12(9(14)15)8(13)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,14,15)
InChIKeyXMSANLFSRYAUMJ-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
5-[(2,5-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397341
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorobenzoyl)-methylcarbamic acid?
The IUPAC name of (2,5-dichlorobenzoyl)-methylcarbamic acid (CID 21444917) is (2,5-dichlorobenzoyl)-methylcarbamic acid.
What is the SMILES notation for (2,5-dichlorobenzoyl)-methylcarbamic acid?
The canonical SMILES for (2,5-dichlorobenzoyl)-methylcarbamic acid is CN(C(=O)O)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorobenzoyl)-methylcarbamic acid?
The InChIKey is XMSANLFSRYAUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c1-12(9(14)15)8(13)6-4-5(10)2-3-7(6)11/h2-4H,1H3,(H,14,15).
What are the key properties of (2,5-dichlorobenzoyl)-methylcarbamic acid?
(2,5-dichlorobenzoyl)-methylcarbamic acid has a molecular weight of 248.06 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorobenzoyl)-methylcarbamic acid is sourced from PubChem (CID 21444917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).