N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride

C17H21Cl2N3O3 — CID 119508711

IUPACN-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.Cl
InChIInChI=1S/C17H20ClN3O3.ClH/c1-3-19-7-8-20-16(22)14-5-4-12(18)10-15(14)21-17(23)13-6-9-24-11(13)2;/h4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyVLSMWIUQLVMMLL-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.25
Rot. Bonds7

About N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride

N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119508711) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119508711
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC NameN-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.Cl
InChIInChI=1S/C17H20ClN3O3.ClH/c1-3-19-7-8-20-16(22)14-5-4-12(18)10-15(14)21-17(23)13-6-9-24-11(13)2;/h4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyVLSMWIUQLVMMLL-UHFFFAOYSA-N
XLogP3.25
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119643217
3-[2-[[4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoyl]amino]ethyldisulfanyl]propanoic acid
CID 166422677
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 119453527
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
CID 119656291
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119580097
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 81263552

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride (CID 119508711) is N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride is CCNCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.Cl.
What is the InChIKey of N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is VLSMWIUQLVMMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3.ClH/c1-3-19-7-8-20-16(22)14-5-4-12(18)10-15(14)21-17(23)13-6-9-24-11(13)2;/h4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride?
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 386.28 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119508711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).