4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide

C18H18ClN3O2 — CID 96567970

IUPAC4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide
SMILESCN1CC[C@@H](Nc2ccccc2NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H18ClN3O2/c1-22-11-10-16(18(22)24)20-14-4-2-3-5-15(14)21-17(23)12-6-8-13(19)9-7-12/h2-9,16,20H,10-11H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyKNMTYKFSDLQWEE-MRXNPFEDSA-N
MW343.81 g/mol
LogP3.23
Rot. Bonds4

About 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide

4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide (PubChem CID 96567970) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide
PubChem CID96567970
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide
SMILESCN1CC[C@@H](Nc2ccccc2NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H18ClN3O2/c1-22-11-10-16(18(22)24)20-14-4-2-3-5-15(14)21-17(23)12-6-8-13(19)9-7-12/h2-9,16,20H,10-11H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyKNMTYKFSDLQWEE-MRXNPFEDSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
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4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
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4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
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N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
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CID 163507029
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide (CID 96567970) is 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide is CN1CC[C@@H](Nc2ccccc2NC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide?
The InChIKey is KNMTYKFSDLQWEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22-11-10-16(18(22)24)20-14-4-2-3-5-15(14)21-17(23)12-6-8-13(19)9-7-12/h2-9,16,20H,10-11H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide?
4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide has a molecular weight of 343.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide is sourced from PubChem (CID 96567970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).