2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide

C15H22ClN3O2 — CID 51088532

IUPAC2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide
SMILESCCCCNC(=O)CNc1cc(Cl)ccc1C(=O)NCC
InChIInChI=1S/C15H22ClN3O2/c1-3-5-8-18-14(20)10-19-13-9-11(16)6-7-12(13)15(21)17-4-2/h6-7,9,19H,3-5,8,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMFWWEIAAHLLLEP-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.42
Rot. Bonds8

About 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide

2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide (PubChem CID 51088532) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide
PubChem CID51088532
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide
SMILESCCCCNC(=O)CNc1cc(Cl)ccc1C(=O)NCC
InChIInChI=1S/C15H22ClN3O2/c1-3-5-8-18-14(20)10-19-13-9-11(16)6-7-12(13)15(21)17-4-2/h6-7,9,19H,3-5,8,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyMFWWEIAAHLLLEP-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide?
The IUPAC name of 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide (CID 51088532) is 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide.
What is the SMILES notation for 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide?
The canonical SMILES for 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide is CCCCNC(=O)CNc1cc(Cl)ccc1C(=O)NCC.
What is the InChIKey of 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide?
The InChIKey is MFWWEIAAHLLLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-5-8-18-14(20)10-19-13-9-11(16)6-7-12(13)15(21)17-4-2/h6-7,9,19H,3-5,8,10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide?
2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butylamino)-2-oxoethyl]amino]-4-chloro-N-ethylbenzamide is sourced from PubChem (CID 51088532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).