3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide

C15H19Cl2N3O2 — CID 167840904

IUPAC3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide
SMILESCC(NC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(10-2-3-10)20-15(22)19-7-6-18-14(21)11-4-5-12(16)13(17)8-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyHDYRPWPSLXBRTA-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.82
Rot. Bonds6

About 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide

3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide (PubChem CID 167840904) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide
PubChem CID167840904
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide
SMILESCC(NC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H19Cl2N3O2/c1-9(10-2-3-10)20-15(22)19-7-6-18-14(21)11-4-5-12(16)13(17)8-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyHDYRPWPSLXBRTA-UHFFFAOYSA-N
XLogP2.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 104593713
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CID 42919481
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
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3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
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CID 142594884
3,4-dichloro-N-[2-(2-methylpropylcarbamothioylamino)ethyl]benzamide
CID 165342477
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
3,4-dichloro-N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111870132
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide (CID 167840904) is 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide is CC(NC(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide?
The InChIKey is HDYRPWPSLXBRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(10-2-3-10)20-15(22)19-7-6-18-14(21)11-4-5-12(16)13(17)8-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide?
3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide has a molecular weight of 344.24 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(1-cyclopropylethylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 167840904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).