N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide

C26H26N4O3 — CID 54845223

IUPACN-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
SMILESCc1c(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C26H26N4O3/c1-17-22(11-6-12-23(17)30-26(33)19-13-14-19)27-16-24(31)28-20-9-5-10-21(15-20)29-25(32)18-7-3-2-4-8-18/h2-12,15,19,27H,13-14,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeySIKASOASVARCHK-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.65
Rot. Bonds8

About N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide

N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide (PubChem CID 54845223) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
PubChem CID54845223
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
SMILESCc1c(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C26H26N4O3/c1-17-22(11-6-12-23(17)30-26(33)19-13-14-19)27-16-24(31)28-20-9-5-10-21(15-20)29-25(32)18-7-3-2-4-8-18/h2-12,15,19,27H,13-14,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeySIKASOASVARCHK-UHFFFAOYSA-N
XLogP4.65
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
N-[2-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844978
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54845319
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841043

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide (CID 54845223) is N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide is Cc1c(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide?
The InChIKey is SIKASOASVARCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17-22(11-6-12-23(17)30-26(33)19-13-14-19)27-16-24(31)28-20-9-5-10-21(15-20)29-25(32)18-7-3-2-4-8-18/h2-12,15,19,27H,13-14,16H2,1H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide?
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54845223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).