2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide

C22H20N2O2 — CID 97066219

IUPAC2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide
SMILESCc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cccc1C(N)=O
InChIInChI=1S/C22H20N2O2/c1-13-15(21(23)25)9-5-11-20(13)24-22(26)19-12-18(19)17-10-4-7-14-6-2-3-8-16(14)17/h2-11,18-19H,12H2,1H3,(H2,23,25)(H,24,26)/t18-,19-/m1/s1
InChIKeyPBWXXJPDXOACCQ-RTBURBONSA-N
MW344.41 g/mol
LogP3.99
Rot. Bonds4

About 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide

2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide (PubChem CID 97066219) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide
PubChem CID97066219
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide
SMILESCc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cccc1C(N)=O
InChIInChI=1S/C22H20N2O2/c1-13-15(21(23)25)9-5-11-20(13)24-22(26)19-12-18(19)17-10-4-7-14-6-2-3-8-16(14)17/h2-11,18-19H,12H2,1H3,(H2,23,25)(H,24,26)/t18-,19-/m1/s1
InChIKeyPBWXXJPDXOACCQ-RTBURBONSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
N-(3-aminopropyl)-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119409122
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
3-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-N,2-dimethylbenzamide
CID 95625116
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 71932285
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 96564578
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
CID 115928848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide (CID 97066219) is 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide is Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is PBWXXJPDXOACCQ-RTBURBONSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-13-15(21(23)25)9-5-11-20(13)24-22(26)19-12-18(19)17-10-4-7-14-6-2-3-8-16(14)17/h2-11,18-19H,12H2,1H3,(H2,23,25)(H,24,26)/t18-,19-/m1/s1.
What are the key properties of 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide?
2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(1R,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 97066219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).