4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide

C20H24Cl2N4O2 — CID 88964506

IUPAC4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide
SMILESC/N=C(\C)c1cc(NC(=O)C(CCN)c2ccc(Cl)c(Cl)c2OC)ccc1N
InChIInChI=1S/C20H24Cl2N4O2/c1-11(25-2)15-10-12(4-7-17(15)24)26-20(27)14(8-9-23)13-5-6-16(21)18(22)19(13)28-3/h4-7,10,14H,8-9,23-24H2,1-3H3,(H,26,27)/b25-11+
InChIKeyRAVCILLUWGGJDM-OPEKNORGSA-N
MW423.34 g/mol
LogP4.09
Rot. Bonds7

About 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide

4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide (PubChem CID 88964506) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide
PubChem CID88964506
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide
SMILESC/N=C(\C)c1cc(NC(=O)C(CCN)c2ccc(Cl)c(Cl)c2OC)ccc1N
InChIInChI=1S/C20H24Cl2N4O2/c1-11(25-2)15-10-12(4-7-17(15)24)26-20(27)14(8-9-23)13-5-6-16(21)18(22)19(13)28-3/h4-7,10,14H,8-9,23-24H2,1-3H3,(H,26,27)/b25-11+
InChIKeyRAVCILLUWGGJDM-OPEKNORGSA-N
XLogP4.09
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-amino-3-(N'-benzylcarbamimidoyl)phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270772
3-[[amino-[2-amino-5-[[4-amino-2-(3-methoxyphenyl)butanoyl]amino]phenyl]methylidene]amino]benzamide
CID 142270647
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide
CID 142270741
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270984
4-amino-N-(4-amino-3-ethanimidoylphenyl)-2-(3,4-dichloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl)butanamide
CID 142270726
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
(4-acetamidophenyl) 3,4-dichloro-2-methoxybenzenesulfonate
CID 39845744
methyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 134003465

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide (CID 88964506) is 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide is C/N=C(\C)c1cc(NC(=O)C(CCN)c2ccc(Cl)c(Cl)c2OC)ccc1N.
What is the InChIKey of 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide?
The InChIKey is RAVCILLUWGGJDM-OPEKNORGSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c1-11(25-2)15-10-12(4-7-17(15)24)26-20(27)14(8-9-23)13-5-6-16(21)18(22)19(13)28-3/h4-7,10,14H,8-9,23-24H2,1-3H3,(H,26,27)/b25-11+.
What are the key properties of 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide?
4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide has a molecular weight of 423.34 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-amino-3-(C,N-dimethylcarbonimidoyl)phenyl]-2-(3,4-dichloro-2-methoxyphenyl)butanamide is sourced from PubChem (CID 88964506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).