2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide

C15H16BrClN4O — CID 1106502

IUPAC2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide
SMILESNNC(=O)CN[C@@H](c1cc(Br)ccc1N)c1ccccc1Cl
InChIInChI=1S/C15H16BrClN4O/c16-9-5-6-13(18)11(7-9)15(20-8-14(22)21-19)10-3-1-2-4-12(10)17/h1-7,15,20H,8,18-19H2,(H,21,22)/t15-/m1/s1
InChIKeyKGGZVGJVUALRCS-OAHLLOKOSA-N
MW383.68 g/mol
LogP2.35
Rot. Bonds5

About 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide

2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide (PubChem CID 1106502) has the molecular formula C15H16BrClN4O and a molecular weight of 383.68 g/mol. Its IUPAC name is 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide.

Molecular Properties

Compound Name2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide
PubChem CID1106502
Molecular FormulaC15H16BrClN4O
Molecular Weight383.68 g/mol
Exact Mass382.02
IUPAC Name2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide
SMILESNNC(=O)CN[C@@H](c1cc(Br)ccc1N)c1ccccc1Cl
InChIInChI=1S/C15H16BrClN4O/c16-9-5-6-13(18)11(7-9)15(20-8-14(22)21-19)10-3-1-2-4-12(10)17/h1-7,15,20H,8,18-19H2,(H,21,22)/t15-/m1/s1
InChIKeyKGGZVGJVUALRCS-OAHLLOKOSA-N
XLogP2.35
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid
CID 3844549
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
methyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-(2-chlorophenyl)methyl]amino]acetate
CID 3108122
4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
CID 105263516
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
N-[4-bromo-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-4-methoxybenzamide
CID 1162899
[[4-bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methyl]hydrazine
CID 105212774
3-[(S)-(2-amino-5-bromophenyl)-phenylmethyl]-1,1-dimethylurea
CID 40598667
N-[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-3-morpholin-4-ylpropanamide
CID 2870331
N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
CID 3780295
1-(2-amino-5-bromophenyl)-1-(2-aminophenyl)propan-2-one
CID 174809504
[(6-bromonaphthalen-2-yl)-(2-chlorophenyl)methyl]hydrazine
CID 105287430

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide?
The IUPAC name of 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide (CID 1106502) is 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide.
What is the SMILES notation for 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide?
The canonical SMILES for 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide is NNC(=O)CN[C@@H](c1cc(Br)ccc1N)c1ccccc1Cl.
What is the InChIKey of 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide?
The InChIKey is KGGZVGJVUALRCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16BrClN4O/c16-9-5-6-13(18)11(7-9)15(20-8-14(22)21-19)10-3-1-2-4-12(10)17/h1-7,15,20H,8,18-19H2,(H,21,22)/t15-/m1/s1.
What are the key properties of 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide?
2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide has a molecular weight of 383.68 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide is sourced from PubChem (CID 1106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).