N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H22N2O2 — CID 41266130

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H22N2O2/c24-20(15-6-7-15)22-18-9-11-19(12-10-18)23-21(25)17-8-5-14-3-1-2-4-16(14)13-17/h5,8-13,15H,1-4,6-7H2,(H,22,24)(H,23,25)
InChIKeyNDYRAXHRTYGDCA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 41266130) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID41266130
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H22N2O2/c24-20(15-6-7-15)22-18-9-11-19(12-10-18)23-21(25)17-8-5-14-3-1-2-4-16(14)13-17/h5,8-13,15H,1-4,6-7H2,(H,22,24)(H,23,25)
InChIKeyNDYRAXHRTYGDCA-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431377
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703536
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 42986216
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 41266130) is N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is NDYRAXHRTYGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(15-6-7-15)22-18-9-11-19(12-10-18)23-21(25)17-8-5-14-3-1-2-4-16(14)13-17/h5,8-13,15H,1-4,6-7H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 41266130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).