N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide

C19H24ClN3O3 — CID 119656291

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C19H24ClN3O3/c1-12-14(7-8-26-12)17(24)22-16-9-13(20)5-6-15(16)18(25)23(4)11-19(2,3)10-21/h5-9H,10-11,21H2,1-4H3,(H,22,24)
InChIKeyNQBUWHRHXSRHFC-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.55
Rot. Bonds6

About N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide

N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 119656291) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
PubChem CID119656291
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C19H24ClN3O3/c1-12-14(7-8-26-12)17(24)22-16-9-13(20)5-6-15(16)18(25)23(4)11-19(2,3)10-21/h5-9H,10-11,21H2,1-4H3,(H,22,24)
InChIKeyNQBUWHRHXSRHFC-UHFFFAOYSA-N
XLogP3.55
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
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-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119643217
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
CID 119652343
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chloro-2-hydroxybenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 119655351
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
3-[2-[[4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoyl]amino]ethyldisulfanyl]propanoic acid
CID 166422677
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119653102

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide (CID 119656291) is N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is NQBUWHRHXSRHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12-14(7-8-26-12)17(24)22-16-9-13(20)5-6-15(16)18(25)23(4)11-19(2,3)10-21/h5-9H,10-11,21H2,1-4H3,(H,22,24).
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide?
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 119656291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).