[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid

C18H18N2O3 — CID 90214092

IUPAC[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
SMILESCc1cccc(C(=O)Nc2ccc(C3CC3NC(=O)O)cc2)c1
InChIInChI=1S/C18H18N2O3/c1-11-3-2-4-13(9-11)17(21)19-14-7-5-12(6-8-14)15-10-16(15)20-18(22)23/h2-9,15-16,20H,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyKWYTUYGMYNMIOO-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.37
Rot. Bonds4

About [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid

[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid (PubChem CID 90214092) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
PubChem CID90214092
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
SMILESCc1cccc(C(=O)Nc2ccc(C3CC3NC(=O)O)cc2)c1
InChIInChI=1S/C18H18N2O3/c1-11-3-2-4-13(9-11)17(21)19-14-7-5-12(6-8-14)15-10-16(15)20-18(22)23/h2-9,15-16,20H,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyKWYTUYGMYNMIOO-UHFFFAOYSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-[4-[(3-tert-butylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214249
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
CID 86729837
[2-[4-[(4-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214035
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305020
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-phenylbenzamide;tert-butyl N-[(1R,2S)-2-[4-[(3-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamate;hydrochloride
CID 158155558
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
trans-(1R,2R)-2-[4-[[3-(dimethylcarbamoyl)benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 136584750

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid (CID 90214092) is [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid is Cc1cccc(C(=O)Nc2ccc(C3CC3NC(=O)O)cc2)c1.
What is the InChIKey of [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
The InChIKey is KWYTUYGMYNMIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-3-2-4-13(9-11)17(21)19-14-7-5-12(6-8-14)15-10-16(15)20-18(22)23/h2-9,15-16,20H,10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid?
[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid has a molecular weight of 310.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90214092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).