N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide

C27H23IN2O3 — CID 4940853

IUPACN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H23IN2O3/c1-3-30(24-10-6-8-18-7-4-5-9-22(18)24)27(32)19-11-14-21(15-12-19)29-26(31)20-13-16-25(33-2)23(28)17-20/h4-17H,3H2,1-2H3,(H,29,31)
InChIKeyHJRMRVZWWUXYTB-UHFFFAOYSA-N
MW550.40 g/mol
LogP6.37
Rot. Bonds6

About N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide

N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide (PubChem CID 4940853) has the molecular formula C27H23IN2O3 and a molecular weight of 550.40 g/mol. Its IUPAC name is N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
PubChem CID4940853
Molecular FormulaC27H23IN2O3
Molecular Weight550.40 g/mol
Exact Mass550.08
IUPAC NameN-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H23IN2O3/c1-3-30(24-10-6-8-18-7-4-5-9-22(18)24)27(32)19-11-14-21(15-12-19)29-26(31)20-13-16-25(33-2)23(28)17-20/h4-17H,3H2,1-2H3,(H,29,31)
InChIKeyHJRMRVZWWUXYTB-UHFFFAOYSA-N
XLogP6.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.40
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 26168850
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
CID 4940910
4-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-4-oxobut-2-enoic acid
CID 4940775

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide (CID 4940853) is N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide is CCN(C(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide?
The InChIKey is HJRMRVZWWUXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23IN2O3/c1-3-30(24-10-6-8-18-7-4-5-9-22(18)24)27(32)19-11-14-21(15-12-19)29-26(31)20-13-16-25(33-2)23(28)17-20/h4-17H,3H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide?
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide has a molecular weight of 550.40 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 4940853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).