(2,5-dichlorobenzoyl)-methylcarbamic acid

Name: (2,5-dichlorobenzoyl)-methylcarbamic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₇Cl₂NO₃ — CID 21444917

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	21444917
Molecular Formula	C₉H₇Cl₂NO₃
Molecular Weight	248.06 g/mol
Exact Mass	246.98
IUPAC Name	(2,5-dichlorobenzoyl)-methylcarbamic acid
SMILES	CN(C(=O)O)C(=O)c1cc(Cl)ccc1Cl
InChI	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)
InChIKey	XMSANLFSRYAUMJ-UHFFFAOYSA-N
XLogP	2.74
TPSA	57.61 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.06
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 21444917 — identifiers, structure, computed properties (public domain)

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