3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide

C14H14N2O2 — CID 30600577

IUPAC3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H14N2O2/c1-2-8-15-13(17)11-4-3-5-12(9-11)16-14(18)10-6-7-10/h1,3-5,9-10H,6-8H2,(H,15,17)(H,16,18)
InChIKeyWSMAWLBHQZPINP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.40
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide

3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide (PubChem CID 30600577) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
PubChem CID30600577
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H14N2O2/c1-2-8-15-13(17)11-4-3-5-12(9-11)16-14(18)10-6-7-10/h1,3-5,9-10H,6-8H2,(H,15,17)(H,16,18)
InChIKeyWSMAWLBHQZPINP-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460763
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 55651913
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide (CID 30600577) is 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide?
The InChIKey is WSMAWLBHQZPINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-8-15-13(17)11-4-3-5-12(9-11)16-14(18)10-6-7-10/h1,3-5,9-10H,6-8H2,(H,15,17)(H,16,18).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide?
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 30600577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).