(2,6-dichlorophenyl)methylcarbamic acid

C8H7Cl2NO2 — CID 77230594

IUPAC(2,6-dichlorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2/c9-6-2-1-3-7(10)5(6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyBXVLHHMQVCBEEW-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.76
Rot. Bonds2

About (2,6-dichlorophenyl)methylcarbamic acid

(2,6-dichlorophenyl)methylcarbamic acid (PubChem CID 77230594) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methylcarbamic acid
PubChem CID77230594
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name(2,6-dichlorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2/c9-6-2-1-3-7(10)5(6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyBXVLHHMQVCBEEW-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
CID 28880664
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
3-[(2,6-dichlorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxylic acid
CID 126737936
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate
CID 168891045
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
(3-chlorothiophen-2-yl)methylcarbamic acid
CID 130345010

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methylcarbamic acid?
The IUPAC name of (2,6-dichlorophenyl)methylcarbamic acid (CID 77230594) is (2,6-dichlorophenyl)methylcarbamic acid.
What is the SMILES notation for (2,6-dichlorophenyl)methylcarbamic acid?
The canonical SMILES for (2,6-dichlorophenyl)methylcarbamic acid is O=C(O)NCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methylcarbamic acid?
The InChIKey is BXVLHHMQVCBEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c9-6-2-1-3-7(10)5(6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of (2,6-dichlorophenyl)methylcarbamic acid?
(2,6-dichlorophenyl)methylcarbamic acid has a molecular weight of 220.05 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methylcarbamic acid is sourced from PubChem (CID 77230594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).