N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide

C18H16BrClN2O — CID 27521635

IUPACN-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C(\c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C18H16BrClN2O/c19-15-7-5-14(6-8-15)18(13-3-4-13)22-21-17(23)11-12-1-9-16(20)10-2-12/h1-2,5-10,13H,3-4,11H2,(H,21,23)/b22-18-
InChIKeyMJMILHRMFWOOKC-PYCFMQQDSA-N
MW391.70 g/mol
LogP4.58
Rot. Bonds5

About N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide

N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide (PubChem CID 27521635) has the molecular formula C18H16BrClN2O and a molecular weight of 391.70 g/mol. Its IUPAC name is N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide
PubChem CID27521635
Molecular FormulaC18H16BrClN2O
Molecular Weight391.70 g/mol
Exact Mass390.01
IUPAC NameN-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C(\c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C18H16BrClN2O/c19-15-7-5-14(6-8-15)18(13-3-4-13)22-21-17(23)11-12-1-9-16(20)10-2-12/h1-2,5-10,13H,3-4,11H2,(H,21,23)/b22-18-
InChIKeyMJMILHRMFWOOKC-PYCFMQQDSA-N
XLogP4.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.70
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
CID 27524437
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-(4-chlorophenyl)acetamide
CID 10634467
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
2-(4-chlorophenyl)-N-[(E)-(4-oxo-4-pyrrolidin-1-ylbutan-2-ylidene)amino]acetamide
CID 171980680
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
[(E)-[(4-bromophenyl)-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate
CID 40822686
(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium
CID 2698673
2-(4-chlorophenyl)-N-(cyclohexylideneamino)acetamide
CID 4938145
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide (CID 27521635) is N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C(\c1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide?
The InChIKey is MJMILHRMFWOOKC-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H16BrClN2O/c19-15-7-5-14(6-8-15)18(13-3-4-13)22-21-17(23)11-12-1-9-16(20)10-2-12/h1-2,5-10,13H,3-4,11H2,(H,21,23)/b22-18-.
What are the key properties of N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide?
N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide has a molecular weight of 391.70 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4-bromophenyl)-cyclopropylmethylidene]amino]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 27521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).