ethyl N-[(3-chlorobenzoyl)amino]carbamate

C10H11ClN2O3 — CID 7979102

IUPACethyl N-[(3-chlorobenzoyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-2-16-10(15)13-12-9(14)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyWAPIMLKTVBMVLK-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.73
Rot. Bonds2

About ethyl N-[(3-chlorobenzoyl)amino]carbamate

ethyl N-[(3-chlorobenzoyl)amino]carbamate (PubChem CID 7979102) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is ethyl N-[(3-chlorobenzoyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-chlorobenzoyl)amino]carbamate
PubChem CID7979102
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Nameethyl N-[(3-chlorobenzoyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O3/c1-2-16-10(15)13-12-9(14)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyWAPIMLKTVBMVLK-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
1-[(3-chlorobenzoyl)amino]-3-ethylthiourea
CID 4029166
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
3-chloro-N'-(methylperoxymethyl)benzohydrazide
CID 163583814
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
CID 36943257

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-chlorobenzoyl)amino]carbamate?
The IUPAC name of ethyl N-[(3-chlorobenzoyl)amino]carbamate (CID 7979102) is ethyl N-[(3-chlorobenzoyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(3-chlorobenzoyl)amino]carbamate?
The canonical SMILES for ethyl N-[(3-chlorobenzoyl)amino]carbamate is CCOC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of ethyl N-[(3-chlorobenzoyl)amino]carbamate?
The InChIKey is WAPIMLKTVBMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13-12-9(14)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of ethyl N-[(3-chlorobenzoyl)amino]carbamate?
ethyl N-[(3-chlorobenzoyl)amino]carbamate has a molecular weight of 242.66 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-chlorobenzoyl)amino]carbamate is sourced from PubChem (CID 7979102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).