2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide

C25H25ClN4O6 — CID 140659526

IUPAC2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(/N=C(\N)c3c(C(N)=O)cc(OC)c(OC)c3OC)ccc2Cl)cc1
InChIInChI=1S/C25H25ClN4O6/c1-33-15-8-5-13(6-9-15)30-25(32)16-11-14(7-10-18(16)26)29-23(27)20-17(24(28)31)12-19(34-2)21(35-3)22(20)36-4/h5-12H,1-4H3,(H2,27,29)(H2,28,31)(H,30,32)
InChIKeyAWRJDVVYXCSXAX-UHFFFAOYSA-N
MW512.95 g/mol
LogP3.76
Rot. Bonds9

About 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide

2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide (PubChem CID 140659526) has the molecular formula C25H25ClN4O6 and a molecular weight of 512.95 g/mol. Its IUPAC name is 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
PubChem CID140659526
Molecular FormulaC25H25ClN4O6
Molecular Weight512.95 g/mol
Exact Mass512.15
IUPAC Name2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2cc(/N=C(\N)c3c(C(N)=O)cc(OC)c(OC)c3OC)ccc2Cl)cc1
InChIInChI=1S/C25H25ClN4O6/c1-33-15-8-5-13(6-9-15)30-25(32)16-11-14(7-10-18(16)26)29-23(27)20-17(24(28)31)12-19(34-2)21(35-3)22(20)36-4/h5-12H,1-4H3,(H2,27,29)(H2,28,31)(H,30,32)
InChIKeyAWRJDVVYXCSXAX-UHFFFAOYSA-N
XLogP3.76
TPSA147.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.95
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659533
2-bromo-3,4,5-trimethoxy-N-(4-methoxyphenyl)benzamide
CID 19171527
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
2-[N'-(3-indol-1-ylphenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659546
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493

Frequently Asked Questions

What is the IUPAC name of 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide (CID 140659526) is 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide is COc1ccc(NC(=O)c2cc(/N=C(\N)c3c(C(N)=O)cc(OC)c(OC)c3OC)ccc2Cl)cc1.
What is the InChIKey of 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide?
The InChIKey is AWRJDVVYXCSXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O6/c1-33-15-8-5-13(6-9-15)30-25(32)16-11-14(7-10-18(16)26)29-23(27)20-17(24(28)31)12-19(34-2)21(35-3)22(20)36-4/h5-12H,1-4H3,(H2,27,29)(H2,28,31)(H,30,32).
What are the key properties of 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide?
2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide has a molecular weight of 512.95 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-[4-chloro-3-[(4-methoxyphenyl)carbamoyl]phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 140659526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).