N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide

C17H20ClN5 — CID 174037800

IUPACN'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide
SMILES[H]/N=C(/CC(C)(Nc1ccc(Cl)cc1)c1ccccc1)C(N)=NN
InChIInChI=1S/C17H20ClN5/c1-17(11-15(19)16(20)23-21,12-5-3-2-4-6-12)22-14-9-7-13(18)8-10-14/h2-10,19,22H,11,21H2,1H3,(H2,20,23)/b19-15-
InChIKeyMJDCJKIWVLHYKU-CYVLTUHYSA-N
MW329.84 g/mol
LogP3.31
Rot. Bonds6

About N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide

N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide (PubChem CID 174037800) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide.

Molecular Properties

Compound NameN'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide
PubChem CID174037800
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC NameN'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide
SMILES[H]/N=C(/CC(C)(Nc1ccc(Cl)cc1)c1ccccc1)C(N)=NN
InChIInChI=1S/C17H20ClN5/c1-17(11-15(19)16(20)23-21,12-5-3-2-4-6-12)22-14-9-7-13(18)8-10-14/h2-10,19,22H,11,21H2,1H3,(H2,20,23)/b19-15-
InChIKeyMJDCJKIWVLHYKU-CYVLTUHYSA-N
XLogP3.31
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-4-(2,4-dichloroanilino)-2-iminopentanamide
CID 143723690
2-(4-chloroanilino)-2-phenylbutanamide
CID 60991020
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol
CID 143577606
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
CID 104653916
2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide?
The IUPAC name of N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide (CID 174037800) is N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide.
What is the SMILES notation for N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide?
The canonical SMILES for N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide is [H]/N=C(/CC(C)(Nc1ccc(Cl)cc1)c1ccccc1)C(N)=NN.
What is the InChIKey of N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide?
The InChIKey is MJDCJKIWVLHYKU-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H20ClN5/c1-17(11-15(19)16(20)23-21,12-5-3-2-4-6-12)22-14-9-7-13(18)8-10-14/h2-10,19,22H,11,21H2,1H3,(H2,20,23)/b19-15-.
What are the key properties of N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide?
N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide has a molecular weight of 329.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide is sourced from PubChem (CID 174037800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).