N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide

C21H22N2O2 — CID 673332

IUPACN-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1
InChIInChI=1S/C21H22N2O2/c24-20(16-5-6-16)22-18-9-1-14(2-10-18)13-15-3-11-19(12-4-15)23-21(25)17-7-8-17/h1-4,9-12,16-17H,5-8,13H2,(H,22,24)(H,23,25)
InChIKeyFZXIZSVZOKNDMJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.97
Rot. Bonds6

About N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 673332) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide
PubChem CID673332
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1
InChIInChI=1S/C21H22N2O2/c24-20(16-5-6-16)22-18-9-1-14(2-10-18)13-15-3-11-19(12-4-15)23-21(25)17-7-8-17/h1-4,9-12,16-17H,5-8,13H2,(H,22,24)(H,23,25)
InChIKeyFZXIZSVZOKNDMJ-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide (CID 673332) is N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FZXIZSVZOKNDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(16-5-6-16)22-18-9-1-14(2-10-18)13-15-3-11-19(12-4-15)23-21(25)17-7-8-17/h1-4,9-12,16-17H,5-8,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 673332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).