N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide

C18H19IN2O2 — CID 26244706

IUPACN-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C18H19IN2O2/c1-3-12(2)20-18(23)14-9-5-7-11-16(14)21-17(22)13-8-4-6-10-15(13)19/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyNAPJGSHTBBQFFP-LBPRGKRZSA-N
MW422.27 g/mol
LogP4.07
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide

N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide (PubChem CID 26244706) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
PubChem CID26244706
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC NameN-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C18H19IN2O2/c1-3-12(2)20-18(23)14-9-5-7-11-16(14)21-17(22)13-8-4-6-10-15(13)19/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyNAPJGSHTBBQFFP-LBPRGKRZSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-iodobenzamide
CID 3344108
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
CID 100520474
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide (CID 26244706) is N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide?
The InChIKey is NAPJGSHTBBQFFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-3-12(2)20-18(23)14-9-5-7-11-16(14)21-17(22)13-8-4-6-10-15(13)19/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide?
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide has a molecular weight of 422.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide is sourced from PubChem (CID 26244706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).