N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride

C19H25Cl2N3O3 — CID 119643217

IUPACN-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.Cl
InChIInChI=1S/C19H24ClN3O3.ClH/c1-4-19(21,5-2)11-22-17(24)15-7-6-13(20)10-16(15)23-18(25)14-8-9-26-12(14)3;/h6-10H,4-5,11,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyJCQJOVGQXBTLKO-UHFFFAOYSA-N
MW414.33 g/mol
LogP4.16
Rot. Bonds7

About N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride

N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119643217) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119643217
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC NameN-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.Cl
InChIInChI=1S/C19H24ClN3O3.ClH/c1-4-19(21,5-2)11-22-17(24)15-7-6-13(20)10-16(15)23-18(25)14-8-9-26-12(14)3;/h6-10H,4-5,11,21H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyJCQJOVGQXBTLKO-UHFFFAOYSA-N
XLogP4.16
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
CID 119656291
3-[2-[[4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoyl]amino]ethyldisulfanyl]propanoic acid
CID 166422677
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 119453527
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride (CID 119643217) is N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.Cl.
What is the InChIKey of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is JCQJOVGQXBTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3.ClH/c1-4-19(21,5-2)11-22-17(24)15-7-6-13(20)10-16(15)23-18(25)14-8-9-26-12(14)3;/h6-10H,4-5,11,21H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 414.33 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119643217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).