4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide

C18H25ClN4O3 — CID 54543853

IUPAC4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCN(C)c1ccc(CN(C)C)o1
InChIInChI=1S/C18H25ClN4O3/c1-22(2)11-12-5-6-17(26-12)23(3)8-7-21-18(24)13-9-14(19)15(20)10-16(13)25-4/h5-6,9-10H,7-8,11,20H2,1-4H3,(H,21,24)
InChIKeyZFEAGCDZZZPYPX-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.45
Rot. Bonds8

About 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide (PubChem CID 54543853) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
PubChem CID54543853
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCN(C)c1ccc(CN(C)C)o1
InChIInChI=1S/C18H25ClN4O3/c1-22(2)11-12-5-6-17(26-12)23(3)8-7-21-18(24)13-9-14(19)15(20)10-16(13)25-4/h5-6,9-10H,7-8,11,20H2,1-4H3,(H,21,24)
InChIKeyZFEAGCDZZZPYPX-UHFFFAOYSA-N
XLogP2.45
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
CID 12861895
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide
CID 12861899
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
CID 119958197
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
CID 119895304
4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
CID 10689599
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide (CID 54543853) is 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCN(C)c1ccc(CN(C)C)o1.
What is the InChIKey of 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide?
The InChIKey is ZFEAGCDZZZPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-22(2)11-12-5-6-17(26-12)23(3)8-7-21-18(24)13-9-14(19)15(20)10-16(13)25-4/h5-6,9-10H,7-8,11,20H2,1-4H3,(H,21,24).
What are the key properties of 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide has a molecular weight of 380.88 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 54543853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).