benzoyl(methyl)carbamic acid;hydrochloride

C9H10ClNO3 — CID 70634624

IUPACbenzoyl(methyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)c1ccccc1.Cl
InChIInChI=1S/C9H9NO3.ClH/c1-10(9(12)13)8(11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,12,13);1H
InChIKeyONCPEEPMWBSEBG-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.86
Rot. Bonds1

About benzoyl(methyl)carbamic acid;hydrochloride

benzoyl(methyl)carbamic acid;hydrochloride (PubChem CID 70634624) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is benzoyl(methyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namebenzoyl(methyl)carbamic acid;hydrochloride
PubChem CID70634624
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namebenzoyl(methyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)c1ccccc1.Cl
InChIInChI=1S/C9H9NO3.ClH/c1-10(9(12)13)8(11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,12,13);1H
InChIKeyONCPEEPMWBSEBG-UHFFFAOYSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[methyl(nitroso)carbamoyl]benzamide
CID 86035240
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N-phenyl-N-propanoylbenzamide
CID 13029157
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
CID 174412487
CID 174412487
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368
methyl (Z)-3-[benzoyl(methyl)amino]-3-phenylprop-2-enoate
CID 71127944
CID 19990303
CID 19990303
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154

Frequently Asked Questions

What is the IUPAC name of benzoyl(methyl)carbamic acid;hydrochloride?
The IUPAC name of benzoyl(methyl)carbamic acid;hydrochloride (CID 70634624) is benzoyl(methyl)carbamic acid;hydrochloride.
What is the SMILES notation for benzoyl(methyl)carbamic acid;hydrochloride?
The canonical SMILES for benzoyl(methyl)carbamic acid;hydrochloride is CN(C(=O)O)C(=O)c1ccccc1.Cl.
What is the InChIKey of benzoyl(methyl)carbamic acid;hydrochloride?
The InChIKey is ONCPEEPMWBSEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.ClH/c1-10(9(12)13)8(11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,12,13);1H.
What are the key properties of benzoyl(methyl)carbamic acid;hydrochloride?
benzoyl(methyl)carbamic acid;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl(methyl)carbamic acid;hydrochloride is sourced from PubChem (CID 70634624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).