3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C26H28ClN3O4 — CID 60547044

IUPAC3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C26H28ClN3O4/c1-17(2)13-23(30-25(32)19-8-10-21(27)11-9-19)26(33)28-15-18-5-3-6-20(14-18)24(31)29-16-22-7-4-12-34-22/h3-12,14,17,23H,13,15-16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyMTTAVPQVVQHBAK-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.32
Rot. Bonds10

About 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 60547044) has the molecular formula C26H28ClN3O4 and a molecular weight of 481.98 g/mol. Its IUPAC name is 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID60547044
Molecular FormulaC26H28ClN3O4
Molecular Weight481.98 g/mol
Exact Mass481.18
IUPAC Name3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C26H28ClN3O4/c1-17(2)13-23(30-25(32)19-8-10-21(27)11-9-19)26(33)28-15-18-5-3-6-20(14-18)24(31)29-16-22-7-4-12-34-22/h3-12,14,17,23H,13,15-16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
InChIKeyMTTAVPQVVQHBAK-UHFFFAOYSA-N
XLogP4.32
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
N-(furan-2-ylmethyl)-3-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111236435
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]methyl]benzamide
CID 111401135

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 60547044) is 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is MTTAVPQVVQHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4/c1-17(2)13-23(30-25(32)19-8-10-21(27)11-9-19)26(33)28-15-18-5-3-6-20(14-18)24(31)29-16-22-7-4-12-34-22/h3-12,14,17,23H,13,15-16H2,1-2H3,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 481.98 g/mol, XLogP of 4.32, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 60547044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).