N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide

C17H20ClN3O3 — CID 119433464

IUPACN-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C
InChIInChI=1S/C17H20ClN3O3/c1-11-13(6-9-24-11)17(23)21-15-10-12(18)4-5-14(15)16(22)20-8-3-7-19-2/h4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLNGNUNOJSDXQFS-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.83
Rot. Bonds7

About N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide

N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 119433464) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID119433464
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C
InChIInChI=1S/C17H20ClN3O3/c1-11-13(6-9-24-11)17(23)21-15-10-12(18)4-5-14(15)16(22)20-8-3-7-19-2/h4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLNGNUNOJSDXQFS-UHFFFAOYSA-N
XLogP2.83
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.83
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-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
3-[2-[[4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoyl]amino]ethyldisulfanyl]propanoic acid
CID 166422677
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
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 119546274
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
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
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
CID 119656291
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide (CID 119433464) is N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide is CNCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C.
What is the InChIKey of N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is LNGNUNOJSDXQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11-13(6-9-24-11)17(23)21-15-10-12(18)4-5-14(15)16(22)20-8-3-7-19-2/h4-6,9-10,19H,3,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.83, 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-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 119433464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).