3-amino-2-chloro-N-prop-2-enylbenzamide

C10H11ClN2O — CID 112575204

IUPAC3-amino-2-chloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-6-13-10(14)7-4-3-5-8(12)9(7)11/h2-5H,1,6,12H2,(H,13,14)
InChIKeyPPOKKOAJWDLCAO-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-2-chloro-N-prop-2-enylbenzamide

3-amino-2-chloro-N-prop-2-enylbenzamide (PubChem CID 112575204) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-amino-2-chloro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-prop-2-enylbenzamide
PubChem CID112575204
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-amino-2-chloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-6-13-10(14)7-4-3-5-8(12)9(7)11/h2-5H,1,6,12H2,(H,13,14)
InChIKeyPPOKKOAJWDLCAO-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 112574891
3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 112576097
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-2-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 115930203
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-prop-2-enylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-prop-2-enylbenzamide (CID 112575204) is 3-amino-2-chloro-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-prop-2-enylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-prop-2-enylbenzamide?
The InChIKey is PPOKKOAJWDLCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-2-6-13-10(14)7-4-3-5-8(12)9(7)11/h2-5H,1,6,12H2,(H,13,14).
What are the key properties of 3-amino-2-chloro-N-prop-2-enylbenzamide?
3-amino-2-chloro-N-prop-2-enylbenzamide has a molecular weight of 210.66 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-prop-2-enylbenzamide is sourced from PubChem (CID 112575204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).