N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide

C24H24ClN3O3 — CID 20888626

IUPACN-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(CNc2c(NC3CCCC3)c(=O)c2=O)cc1
InChIInChI=1S/C24H24ClN3O3/c25-19-8-4-1-5-17(19)14-27-24(31)16-11-9-15(10-12-16)13-26-20-21(23(30)22(20)29)28-18-6-2-3-7-18/h1,4-5,8-12,18,26,28H,2-3,6-7,13-14H2,(H,27,31)
InChIKeyOTRIYJXXCRRTPN-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.83
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide

N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide (PubChem CID 20888626) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide
PubChem CID20888626
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(CNc2c(NC3CCCC3)c(=O)c2=O)cc1
InChIInChI=1S/C24H24ClN3O3/c25-19-8-4-1-5-17(19)14-27-24(31)16-11-9-15(10-12-16)13-26-20-21(23(30)22(20)29)28-18-6-2-3-7-18/h1,4-5,8-12,18,26,28H,2-3,6-7,13-14H2,(H,27,31)
InChIKeyOTRIYJXXCRRTPN-UHFFFAOYSA-N
XLogP3.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-N-(3-methoxyphenyl)benzamide
CID 46261461
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109156849
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide (CID 20888626) is N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide is O=C(NCc1ccccc1Cl)c1ccc(CNc2c(NC3CCCC3)c(=O)c2=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide?
The InChIKey is OTRIYJXXCRRTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-8-4-1-5-17(19)14-27-24(31)16-11-9-15(10-12-16)13-26-20-21(23(30)22(20)29)28-18-6-2-3-7-18/h1,4-5,8-12,18,26,28H,2-3,6-7,13-14H2,(H,27,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide?
N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[[[2-(cyclopentylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzamide is sourced from PubChem (CID 20888626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).