(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide

C10H9ClN4O — CID 70560556

IUPAC(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide
SMILESN#C/C(C(N)=O)=C(\N)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c11-6-1-3-7(4-2-6)15-9(13)8(5-12)10(14)16/h1-4,15H,13H2,(H2,14,16)/b9-8-
InChIKeyHHLRYDFLSFGMCX-HJWRWDBZSA-N
MW236.66 g/mol
LogP0.93
Rot. Bonds3

About (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide

(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide (PubChem CID 70560556) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide
PubChem CID70560556
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide
SMILESN#C/C(C(N)=O)=C(\N)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c11-6-1-3-7(4-2-6)15-9(13)8(5-12)10(14)16/h1-4,15H,13H2,(H2,14,16)/b9-8-
InChIKeyHHLRYDFLSFGMCX-HJWRWDBZSA-N
XLogP0.93
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
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2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
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CID 5109111
3-anilino-2-cyano-3-methylsulfanylprop-2-enamide
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ethyl 3-amino-2-cyano-3-(3,4-dichloroanilino)prop-2-enoate
CID 70585868
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
(Z)-N-(4-chlorophenyl)-2-cyano-3-(methylamino)prop-2-enamide
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4-[(4-chlorophenyl)carbamoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide (CID 70560556) is (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide is N#C/C(C(N)=O)=C(\N)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
The InChIKey is HHLRYDFLSFGMCX-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-6-1-3-7(4-2-6)15-9(13)8(5-12)10(14)16/h1-4,15H,13H2,(H2,14,16)/b9-8-.
What are the key properties of (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide?
(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide has a molecular weight of 236.66 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide is sourced from PubChem (CID 70560556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).