2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide

C12H15Cl2N3O2 — CID 108573425

IUPAC2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
SMILESCN(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c1-17(2)12(19)16-6-5-15-11(18)9-7-8(13)3-4-10(9)14/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyNFQUEFXDMVNHMK-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.99
Rot. Bonds4

About 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide

2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide (PubChem CID 108573425) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
PubChem CID108573425
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
SMILESCN(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2N3O2/c1-17(2)12(19)16-6-5-15-11(18)9-7-8(13)3-4-10(9)14/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyNFQUEFXDMVNHMK-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83120511
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
N-[2-(dimethylcarbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034079
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
CID 159122733
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide (CID 108573425) is 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide is CN(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
The InChIKey is NFQUEFXDMVNHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-17(2)12(19)16-6-5-15-11(18)9-7-8(13)3-4-10(9)14/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide has a molecular weight of 304.18 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 108573425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).