2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide

C26H21ClN4O2 — CID 18727717

IUPAC2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide
SMILESNCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C26H21ClN4O2/c27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
InChIKeyLPCINVCZMCLEGM-UHFFFAOYSA-N
MW456.93 g/mol
LogP5.37
Rot. Bonds6

About 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide

2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 18727717) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID18727717
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide
SMILESNCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C26H21ClN4O2/c27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
InChIKeyLPCINVCZMCLEGM-UHFFFAOYSA-N
XLogP5.37
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide (CID 18727717) is 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide is NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is LPCINVCZMCLEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h1-14,16H,15,28H2,(H,30,32)(H,29,31,33).
What are the key properties of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide?
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 456.93 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 18727717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).