5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide

C16H25ClN4O2 — CID 119505718

IUPAC5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN4O2/c1-5-18-8-9-19-14(22)12-10-11(6-7-13(12)17)20-15(23)21-16(2,3)4/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyLSOORNPVDBCBHR-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.60
Rot. Bonds6

About 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide

5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 119505718) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
PubChem CID119505718
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN4O2/c1-5-18-8-9-19-14(22)12-10-11(6-7-13(12)17)20-15(23)21-16(2,3)4/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyLSOORNPVDBCBHR-UHFFFAOYSA-N
XLogP2.60
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
7-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]amino]heptanoic acid
CID 119227411
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
2-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]-methylamino]acetic acid
CID 119172148
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 120505174
5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide
CID 166213939
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
CID 119419296
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2-chloro-5-[3-(ethylamino)propanoylamino]benzoic acid
CID 62834522
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide (CID 119505718) is 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is LSOORNPVDBCBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-5-18-8-9-19-14(22)12-10-11(6-7-13(12)17)20-15(23)21-16(2,3)4/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide?
5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 340.86 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 119505718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).