4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide

C20H25Cl2N3O2 — CID 12861899

IUPAC4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C20H25Cl2N3O2/c1-13(2)25(12-14-4-6-15(21)7-5-14)9-8-24-20(26)16-10-17(22)18(23)11-19(16)27-3/h4-7,10-11,13H,8-9,12,23H2,1-3H3,(H,24,26)
InChIKeyLZAGACLXEGUEOT-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.22
Rot. Bonds8

About 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide (PubChem CID 12861899) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide
PubChem CID12861899
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C20H25Cl2N3O2/c1-13(2)25(12-14-4-6-15(21)7-5-14)9-8-24-20(26)16-10-17(22)18(23)11-19(16)27-3/h4-7,10-11,13H,8-9,12,23H2,1-3H3,(H,24,26)
InChIKeyLZAGACLXEGUEOT-UHFFFAOYSA-N
XLogP4.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.22
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-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
CID 54543853
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119730378
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide (CID 12861899) is 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide?
The InChIKey is LZAGACLXEGUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2/c1-13(2)25(12-14-4-6-15(21)7-5-14)9-8-24-20(26)16-10-17(22)18(23)11-19(16)27-3/h4-7,10-11,13H,8-9,12,23H2,1-3H3,(H,24,26).
What are the key properties of 4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide has a molecular weight of 410.35 g/mol, XLogP of 4.22, 8 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-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 12861899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).