4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide

C18H22ClN3O2 — CID 119835495

IUPAC4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C18H22ClN3O2/c1-22(2)11-13-7-5-4-6-12(13)10-21-18(23)14-8-15(19)16(20)9-17(14)24-3/h4-9H,10-11,20H2,1-3H3,(H,21,23)
InChIKeyYOYPHFHLBWMJLJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.92
Rot. Bonds6

About 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide

4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 119835495) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
PubChem CID119835495
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C18H22ClN3O2/c1-22(2)11-13-7-5-4-6-12(13)10-21-18(23)14-8-15(19)16(20)9-17(14)24-3/h4-9H,10-11,20H2,1-3H3,(H,21,23)
InChIKeyYOYPHFHLBWMJLJ-UHFFFAOYSA-N
XLogP2.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
CID 119834795
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
4-amino-5-chloro-N-[[3-(diethylaminomethyl)phenyl]methyl]-2-methoxybenzamide;dihydrochloride
CID 119847474
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
CID 54543853
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 9343351
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
CID 119811646
4-amino-5-chloro-2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 119847226
methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 119731058

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide (CID 119835495) is 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is YOYPHFHLBWMJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-22(2)11-13-7-5-4-6-12(13)10-21-18(23)14-8-15(19)16(20)9-17(14)24-3/h4-9H,10-11,20H2,1-3H3,(H,21,23).
What are the key properties of 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 347.85 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 119835495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).