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

C17H21Cl2N3O3 — CID 119629869

IUPACN-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C17H20ClN3O3.ClH/c1-10-12(6-7-24-10)16(23)21-14-8-11(18)4-5-13(14)15(22)20-9-17(2,3)19;/h4-8H,9,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyNWUYWAIDWHVJDP-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.38
Rot. Bonds5

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

N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119629869) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119629869
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC NameN-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C17H20ClN3O3.ClH/c1-10-12(6-7-24-10)16(23)21-14-8-11(18)4-5-13(14)15(22)20-9-17(2,3)19;/h4-8H,9,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyNWUYWAIDWHVJDP-UHFFFAOYSA-N
XLogP3.38
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119643217
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
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-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
CID 119453527
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
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-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride (CID 119629869) is N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride is Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is NWUYWAIDWHVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3.ClH/c1-10-12(6-7-24-10)16(23)21-14-8-11(18)4-5-13(14)15(22)20-9-17(2,3)19;/h4-8H,9,19H2,1-3H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride?
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 386.28 g/mol, XLogP of 3.38, 5 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-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119629869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).